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900 NMR Facility News

May 4/16 New 900 publications

Feb 17/16 Prof. Roderick Wasylishen (Alberta) visits the NMR Facility to perform NMR experiments in new photovoltaic materials for solar cells

Feb 5/16 Stephen Day (Warwick, U.K.) visits the NMR Facility to run 17O MAS NMR spectra at 21.1 T

Jan 28/16 Congratulations to the 900 NMR Facility user Alexandra Faucher (Wasylishen group, Alberta) who recently defended her Ph.D. thesis "NMR Spectroscopy of Exotic Quadrupolar Nuclei in Solids"

Jan 19/16 New 900 publications

Dec 28/15 Multinuclear NMR experiments in advanced materials for Prof. Bettina Lotsch and colleagues from MPI Stuttgart (Germany)

Dec 15/15 High-field NMR experiments in pharmaceuticals for Robert Schurko (Windsor)

Sept 24/15 Frontispiece paper in Chemistry - A European Journal : Para–Ferroelectric Transition in MOFs (Yining Huang, Western University) http://onlinelibrary.wiley.com/doi/10.1002/chem.201584162/abstract

Sept 5/15 Special issue of Canadian Journal of Chemistry dedicated to John Ripmeester http://nmr900.ca/nmr_news.html#cjc

July 21/15 the 900 NMR Facility celebrates the 10th Anniversary!

June 5/15 World-record solid-state NMR spectrum acquired on the 900: 75As (I=3/2) in Ph3As is 32 MHz broad and consists of four As sites (Alex Faucher and Rod Wasylishen, Alberta) http://dx.doi.org/10.1021/acs.jpca.5b04163

May 20/15 The 900 NMR results highlighted in Chemical & Engineering News "Molecular Shuttles Get Organized" research by Robert Schurko and Stephen Loeb (Windsor) http://dx.doi.org/10.1038/nchem.2258

May 14/15 Prof. Roderick Wasylishen (Alberta) visits the NMR Facility

May 5/15 New 900 publication (#207) in Nature Chemistry, Molecular shuttles in MOFs, Robert Schurko and Stephen Loeb (Windsor) http://dx.doi.org/10.1038/nchem.2258

April 20/15 Ten most cited 900 publications

April 1/15 Prof. Roderick Wasylishen (Alberta) visits the NMR Facility to perform NMR experiments in new photovoltaic materials for solar cells

March 12/15 Three new 900 publications

Feb 27/15 New 900 publication (#196) in Angewandte Chemie, Solid-State 17O NMR of Paramagnetic Coordination Compounds, Yining Huang (Western) & Gang Wu (Queen's) http://dx.doi.org/10.1002/anie.201409888

Feb 1/15 the 900 NMR Facility update news

Nov 14/14 "Canadian NMR Research" news bulletin #8.4 download here

Nov 7/14 Three new 900 publications

Oct 27/14 Prof. Roderick Wasylishen (Alberta) visits the NMR Facility to perform 63,65Cu NMR experiments

Oct 17/14 New 900 publication (#185) on the cover of the Journal of Physical Chemistry C, Quadrupolar solid-state NMR in MOFs, Yining Huang (Western) http://dx.doi.org/10.1021/jp5063868

Oct 2/14 15N NMR in oriented lipid bilayers for Matthieu Fillion (Michèle Auger et Christian Salesse, Université Laval)

Sept 29/14 2H NMR in oriented lipid bilayers for Kim Potvin-Fournier (Michèle Auger et Christian Salesse, Université Laval)

Sept 23/14 Stephen Day (Warwick, U.K.) visits the NMR Facility to run 17O 3QMAS NMR spectra at 21.1 T

Aug 21/14 "Canadian NMR Research" news bulletin #8.3 download here

Aug 18/14 Zoe Reeve (McMaster) & Julia Langer (TUGraz, Austria) high-field NMR in battery materials

Aug 12/14 Sherif Nour (uOttawa) & Samuel El Mestiri (Université Pierre et Marie Curie) stationary and MAS 17O NMR at 21.1 T

Aug 11/14 Three new 900 publications including a cover article in J. Phys. Chem. C to appear in print in October

July 23/14 High-field NMR experiments in battery materials for Marine Cuisinier and Linda Nasar (Waterloo)

June 23/14 35Cl NMR as an Indirect Probe of Germanium Oxidation State and Coordination Environment in Germanium Chlorides, Kim Baines and Yining Huang (Western) http://dx.doi.org/10.1021/ic500728w

June 9/14 First ever recorded 75As NMR spectrum in arsenobetaine, the main form of organoarsenic in seafoods http://dx.doi.org/10.1016/j.ssnmr.2014.05.005

May 28/14 "Exotic" low-gamma nuclei in metal-organic frameworks (MOFs) for Shoushun Chen and Prof. Yining Huang (Western)

May 21/14 "Canadian NMR Research" news bulletin #8.2 download here

May 16/14 New 900 publication (#178) by Cory Widdifield, Igor Moudrakovski and David Bryce (uOttawa), 43Ca CSA & EFG Tensor Interplay http://dx.doi.org/10.1039/c4cp01180e

May 5/14 "Exotic" low-gamma nuclei in metal-organic frameworks (MOFs) for Shoushun Chen and Prof. Yining Huang (Western) (part 2)

April 28/14 Igor Moudrakovski (Max Planck Institute for Solid State Research) visits from Stuttgart, Germany

April 22/14 Challenging 75As NMR experiments for Alex Faucher and Prof. Rod Wasylishen (Alberta), pushing the NQR boundaries!

April 11/14 the NMR Facility Steering Committee meeting

April 9/14 Fred Perras (uOttawa) explores J-coupling effects between quadrupolar nuclei

April 2/14 "Exotic" low-gamma nuclei in metal-organic frameworks (MOFs) for Shoushun Chen and Prof. Yining Huang (Western)

March 23/14 Multinuclear NMR experiments underway for Sophia Hayes and her group at the Washington University in St. Louis (MO, United States)

March 17/14 23Na NMR in pharmaceutical formulations for Rod Wasylishen (Alberta)

March 11/14 High-field NMR experiments in molecular machines for Robert Schurko and Stephen Loeb (Windsor)

March 10/14 Congratulations to the Facility user Rosha Teymoori (Alberta) who successfully defended her Ph.D. thesis on March 7, 2014

March 7/14 115In NMR experiments and CASTEP computations for Prof. Huaguang Yu (Yangzhou University, China)

March 3/14 "Canadian NMR Research" news bulletin #8.1 download here

March 3/14 13C-1H FSLG CP 2D HETCOR NMR experiments for Rod Wasylishen (Alberta) in a series of naturally derived biologically active compounds with potential anti-cancer activity

Feb 24/14 115In NMR experiments for Prof. Huaguang Yu (Yangzhou University, China). See some examples of 115In NMR spectra acquired at our NMR Facility in the recent Chemical Science paper by the Rob Schurko group (Windsor) and colleagues from the University of Kent (UK)

Feb 21/14 New 900 publication (#175) by Andreas Brinkmann (NRC) and Mattias Eden (Stockholm University, Sweden)

Feb 18/14 Kevin Burges (Ottawa) is using the unique 7 mm MAS probe optimized for low-gamma nuclei available at the Facility to successfully run some very challenging 43Ca 3QMAS NMR experiments. The MAS Hall sensor is included! (900 probes)

Feb 10/14 Rod Wasylishen (Alberta) visits the Facility this week to perform 1H and 13C solid-state NMR experiments with several naturally derived biologically active compounds using the 900 MHz NMR spectrometer

Feb 3/14 More multinuclear 3QMAS NMR experiments for Sophia Hayes and colleagues from the Washington University in St. Louis (MO, United States)

Jan 13/14 SATRAS and very high-speed MAS experiments underway for Sophia Hayes and her group at the Washington University in St. Louis (MO, United States)

Jan 2/14 Gang Wu (Queen's) has delivered a new batch of protein samples for 17O MAS NMR experiments. Our 21.1 T NMR spectrometer offers unsurpassed performance to study solid-state protein complexes and other difficult systems (research projects)

Dec 26/13 Congratulations to the Facility user Piotr Garbacz (University of Warsaw, Poland) who successfully defended his Ph.D. thesis on December 10, 2013

 

900 Theses Defenses (April 20/16)

Stanislav Veinberg (University of Windsor) April 20, 2016
Supervisor: Prof. Robert Schurko
Ph.D. Chemistry: "Natural Abundance 14N and 15N Solid-State NMR Studies of Organic, Biological, and Pharmaceutical Systems"



900 Theses Defenses (Jan 28/16)

Alexandra Faucher (University of Alberta) January 7, 2016
Supervisor: Prof. Roderick Wasylishen (Alberta)
Ph.D. Chemistry: "NMR Spectroscopy of Exotic Quadrupolar Nuclei in Solids"


New 900 publications (Jan 19/16)

223) Sherif Nour, Cory M. Widdifield, Libor Kobera, Kevin M.N. Burgess, Dylan Errulat, Victor V. Terskikh, and David L. Bryce, "Oxygen-17 NMR Spectroscopy of Water Molecules in Solid Hydrates," Canadian Journal of Chemistry 94 (2016) online.
http://dx.doi.org/10.1139/cjc-2015-0547

222) Julia Langer, Danielle L. Smiley, Alex D. Bain, Gillian R. Goward, and Martin Wilkening, "An Unexpected Pathway - 6Li Exchange NMR Points to Vacancy Driven Out-of-Plane Li Ion Hopping in Crystalline Li2SnO3," Journal of Physical Chemistry C 120 (2016) online. http://dx.doi.org/10.1021/acs.jpcc.5b09894

221) Thomas Bräuniger, Andreas J. Hofmann, Igor L. Moudrakovski, Constantin Hoch, Wolfgang Schnick, "A 45Sc-NMR and DFT calculation study of crystalline scandium compounds," Solid State Sciences 51 (2016) 1–7. http://dx.doi.org/10.1016/j.solidstatesciences.2015.11.002

For other research publications enabled by the 900 NMR Facility (complete list).


Para–Ferroelectric Transition in MOFs

Frontispiece article in Chemistry - A European Journal (Sept 24/15)

Jun Xu, Bryan E.G. Lucier, Regina Sinelnikov, Victor V. Terskikh, Viktor N. Staroverov, Yining Huang, "Monitoring and Understanding the Paraelectric –Ferroelectric Phase Transition in the Metal–Organic Framework [NH4][M(HCOO)3] by Solid-State NMR Spectroscopy," Chemistry - A European Journal 21 (2015) 14348–14361. (Frontispiece Article) http://dx.doi.org/10.1002/chem.201501954

Solid-State NMR Spectroscopy The [NH4][M(HCOO)3] (M=Mg, Zn) metal–organic framework (MOF) undergoes a paraelectric/ferroelectric phase transition below room temperature. In situ variable temperature 25Mg, 67Zn, 14N, and 13C solid-state NMR (SSNMR) experiments permit detailed investigation of the phase transition and temperature-induced changes within each phase. Pronounced changes in 25Mg and 67Zn NMR parameters are linked to subtle changes in the local metal environment, whereas 14N and 13C SSNMR experiments confirm that NH4+ framework hydrogen bonding plays an important role in the phase transition. This approach gave new physical insights and should prove to be useful for investigating electric phenomena in a wide variety of MOFs.

This article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


Steering Committee Meeting (June 16/15)

the Facility Steering Committee meeting took place June 16, 2015 during the CSC 2015 Conference in Ottawa.


Ten most cited 900 publications (April 20/15, via Scopus)

33) David L. Bryce, Elijah B. Bultz, and Dominic Aebi, "Calcium-43 Chemical Shift Tensors as Probes of Calcium Binding Environments. Insight into the Structure of the Vaterite CaCO3 Polymorph by 43Ca Solid-State NMR Spectroscopy," Journal of the American Chemical Society 130 (2008) 9282–9292. http://dx.doi.org/10.1021/ja8017253

37) Hiyam Hamaed, Jenna M. Pawlowski, Benjamin F.T. Cooper, Riqiang Fu, S. Holger Eichhorn, and Robert W. Schurko, "Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs," Journal of the American Chemical Society 130 (2008) 11056–11065. http://dx.doi.org/10.1021/ja802486q

30) Darren H. Brouwer, "NMR Crystallography of Zeolites: Refinement of an NMR-Solved Crystal Structure Using ab Initio Calculations of 29Si Chemical Shift Tensors," Journal of the American Chemical Society 130 (2008) 6306–6307. http://dx.doi.org/10.1021/ja800227f

28) Ramsey Ida and Gang Wu, "Direct NMR Detection of Alkali Metal Ions Bound to G-Quadruplex DNA," Journal of the American Chemical Society 130 (2008) 3590-3602. http://dx.doi.org/10.1021/ja709975z

21) Gang Wu, "Solid-State 17O NMR Studies of Organic and Biological Molecules," Progress in Nuclear Magnetic Resonance Spectroscopy 52 (2008) 118-169. (Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2007.07.004

64) Peter J. Pallister, Igor L. Moudrakovski and John A. Ripmeester, "25Mg ultra-high field solid state NMR spectroscopy and first principles calculations of magnesium compounds," Physical Chemistry Chemical Physics 11 (2009) 11487-11500. http://dx.doi.org/10.1039/b916076k

35) Darren H. Brouwer, "A structure refinement strategy for NMR crystallography: An improved structure of silica-ZSM-12 zeolite from 29Si chemical shift tensors," Journal of Magnetic Resonance 194 (2008) 136-146. http://dx.doi.org/10.1016/j.jmr.2008.06.020

45) Aaron J. Rossini, Ryan W. Mills, Graham A. Briscoe, Erin L. Norton, Stephen J. Geier, Ivan Hung, Shaohui Zheng, Jochen Autschbach, and Robert W. Schurko, "Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes," Journal of the American Chemical Society 131 (2009) 3317–3330. http://dx.doi.org/10.1021/ja808390a

8) David L. Bryce and Elijah B. Bultz, "Alkaline Earth Chloride Hydrates: 35Cl, 37Cl Chlorine Quadrupolar and Chemical Shift Tensors by Solid-State NMR Spectroscopy and Plane Wave Pseudopotential Calculations," Chemistry - A European Journal 13 (2007) 4786-4796. http://dx.doi.org/10.1002/chem.200700056

54) Cory M. Widdifield and David L. Bryce, "Crystallographic Structure Refinement with Quadrupolar Nuclei: a Combined Solid-State NMR and GIPAW DFT Example Using MgBr2," Physical Chemistry Chemical Physics 11 (2009) 7120-7122. http://dx.doi.org/10.1039/b911448n

For other research publications enabled by the 900 NMR Facility (complete list).


New 900 publications (April 15/15)

204) Lu Zhang and Yining Huang, "An investigation into the crystallization of low-silica X zeolite," Journal of Porous Materials (2015) online. http://dx.doi.org/10.1007/s10934-015-9957-1

203) Roberta L. Flemming, Victor Terskikh and Eric Ye, "Aluminum environments in synthetic Ca-Tschermak clinopyroxene (CaAlAlSiO6) from Rietveld refinement, 27Al NMR and first-principles calculations," American Mineralogist (2015) accepted.

202) Jun Xu, Victor Terskikh, Yueying Chu, Anmin Zheng, and Yining Huang, "Mapping out Chemically Similar, Crystallographically Non-equivalent Hydrogen Sites in Metal–Organic Frameworks by 1H Solid-state NMR Spectroscopy," Chemistry of Materials 27 (2015) online. http://dx.doi.org/10.1021/acs.chemmater.5b00360

201) Daniel Rettenwander, Julia Langer, Walter Schmidt, Christian Arrer, Kristopher J. Harris, Victor Terskikh, Gillian R. Goward, Martin Wilkening, and Georg Amthauer, "On the Site Occupation of Ga and Al in Stabilized Cubic Li7-3(x+y)GaxAlyLa3Zr2O12 Garnets as Deduced from 27Al and 71Ga MAS NMR at Ultrahigh Magnetic Fields," Chemistry of Materials 27 (2015) online. http://dx.doi.org/10.1021/acs.chemmater.5b00684

200) Carl P. Romao, Frédéric A. Perras, Ulrike Werner-Zwanziger, Joey A. Lussier, Kimberly J. Miller, Courtney M. Calahoo, Josef W. Zwanziger, Mario Bieringer, Bojan A. Marinkovic, David L. Bryce, and Mary A. White, "Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties," Chemistry of Materials 27 (2015) 2633–2646. http://dx.doi.org/10.1021/acs.chemmater.5b00429

For other research publications enabled by the 900 NMR Facility (complete list).


New 900 publications (March 12/15)

199) Cory M. Widdifield, Frederic A. Perras, and David L. Bryce, "Solid-State 185/187Re NMR and GIPAW DFT Study of Perrhenates and Re2(CO)10: chemical shift anisotropy, NMR crystallography, and a metal-metal bond," Physical Chemistry Chemical Physics 17 (2015) online. http://dx.doi.org/10.1039/c5cp00602c

198) Xianqi Kong, Victor Terskikh, Abouzar Toubaei, and Gang Wu, "A Solid-State 17O NMR Study of Platinum-Carboxylate Complexes: Carboplatin and Oxaliplatin," Canadian Journal of Chemistry 93 (2015) accepted. http://dx.doi.org/10.1139/cjc-2015-0019

197) Alexandra Faucher, Victor V. Terskikh, Roderick E. Wasylishen, "Assessing Distortion of the AF6 (A = As, Sb) Octahedra in Solid Hexafluorometallates(V) via NMR Spectroscopy," Canadian Journal of Chemistry 93 (2015) accepted. http://dx.doi.org/10.1139/cjc-2015-0082

196) Xianqi Kong, Victor V. Terskikh, Rahul L. Khade, Liu Yang, Amber Rorick, Yong Zhang, Peng He, Yining Huang and Gang Wu, "Solid-State 17O NMR Spectroscopy of Paramagnetic Coordination Compounds," Angewandte Chemie International Edition (2015) online. http://dx.doi.org/10.1002/anie.201409888

For other research publications enabled by the 900 NMR Facility (complete list).


the 900 NMR Facility update (Feb 1/15)

Dear colleagues,

I am writing to you with some news in regards to the National Ultrahigh-Field NMR Facility for Solids. Following national media coverage as well as many support letters from the community, the National Research Council Canada has generously contributed an in-kind lease of space to house the NMR facility for 18 months. While NSERC and CFI have not provided any new funds, I am very pleased to report that, through membership contributions of eight major user universities, we have been able to avert the planned shutdown. The Facility Steering Committee has put in place a business plan so that the NMR Facility will be able to operate through to March, 2016. Bruker Canada continues to be an essential partner in this national research infrastructure project.

The Steering Committee continues to actively explore more sustainable funding solutions through dialogue with NSERC and CFI. I have had conversations with the presidents of both organizations and they are aware of our situation. The Facility will also continue to work to attract additional user fees from industrial and academic clients, both nationally and internationally. User fees have been increased to reflect the new reality and these are posted on the facility website at http://nmr900.ca/rates_e.html

On behalf of the Facility Steering Committee I would like to thank all of you for your support in these difficult circumstances, and I'm sure we will see many of you using the 900 in the coming year. Please do not hesitate to contact the members of the Facility Steering Committee with your ideas and suggestions on how we can best serve the Canadian NMR community.

Sincerely,

David Bryce

** **
Prof. David L. Bryce, Ph.D.
Department of Chemistry
10 Marie Curie Private
University of Ottawa
Ottawa, Ontario K1N6N5
Canada
Phone 613-562-5800 ext 2018
Fax 613-562-5170
Email dbryce "at" uottawa.ca

Web http://mysite.science.uottawa.ca/dbryce/


Closure of the National Ultrahigh-Field NMR Facility for Solids (Nov 21/14)

Dear Colleagues and NMR Facility users,

it is with regret that we announce the closure and decommissioning of the Canadian National Ultrahigh-Field NMR Facility for Solids (the 900) in Ottawa. With no feasible options to apply for funding for proper operations and maintenance on the horizon, the Steering Committee reluctantly concedes that the continued operations of the facility are not currently sustainable.

The moratorium on the NSERC Major Resources Support program as well as additional lease costs have rendered operations unsustainable. Without secured long-term funding, a decommissioning of the facility seems to be the only option available presently. The Canada Foundation for Innovation has been notified of the impending shutdown, and we are following their recommendations and guidelines in this regard. NSERC is also aware of the situation.

Given that it takes over three months to properly warm-up and de-energize the 900 MHz magnet, this process will be initiated by qualified Bruker service engineers in mid-December so that the leased premises can be vacated at that end of the current lease period (March 2015) without incurring additional budget shortfalls.

I would like to make it clear that the Facility Steering Committee as well as the University of Ottawa have put in significant efforts over the past two years to alert the funding agencies to the impending disaster. We have not taken the current decision lightly and we are extremely frustrated. There is still short time available before the physical shutdown to reach out to the media or to our funding agencies if you consider doing so. Or please contact any of the members of the Facility Steering Committee if you have any suggestions or advice. http://nmr900.ca/committee_e.html

I would like to take this opportunity and to thank all involved in this project over the years, our partners and funding agencies, the International Advisory Board, you the Facility users, and of course our dedicated team on site and our facility manager Victor Terskikh in particular, who made this project such a tremendous success. Undoubtedly, the 900 closure will be a big blow not only to the Canadian research community but will be felt all over the world.

On behalf of the Facility Steering Committee,

With kindest regards,

David Bryce

** **
Prof. David L. Bryce, Ph.D.
Department of Chemistry
10 Marie Curie Private
University of Ottawa
Ottawa, Ontario K1N6N5
Canada
Phone 613-562-5800 ext 2018
Fax 613-562-5170
Email dbryce "at" uottawa.ca

Web http://mysite.science.uottawa.ca/dbryce/


CBC News: Unique national science facility may close due to federal cuts, Dec 1, 2014

ChemistryWorld: Eleventh hour reprieve for world-class Canadian NMR facility, Dec 2, 2014


17O NMR in MOFs

Cover article in the Journal of Physical Chemistry C (Oct 17/14)

185) Peng He, Bryan Lucier, Victor Terskikh, Qi Shi, Jinxiang Dong, Yueying Chu, Anmin Zheng, Andre Sutrisno, Yining Huang, "Spies Within Metal Organic Frameworks: Investigating Metal Centers Using Solid-State NMR," Journal of Physical Chemistry C 118 (2014) 23728–23744. (Cover Article) http://dx.doi.org/10.1021/jp5063868

Solid-state NMR: yielding rich information on local environments of metals within metal-organic frameworks. Solid-state NMR spectroscopy (SSNMR) targeting NMR-active metal centers at natural abundance, in concert with ab initio density functional theory calculations and X-ray diffraction, is a powerful tool for elucidating the molecular-level structure of metal-organic frameworks (MOFs). 91Zr, 115In, 139La, 47/49Ti, and 67Zn SSNMR experiments are sensitive to subtle differences in coordination, bond length distribution, and ligand geometry about the metal center within MOFs. SSNMR spectroscopy of metal centers offers an impressive addition to the arsenal of the techniques for MOF characterization. On the cover, the structure of the MOF MIL-140A is shown at three different magnifications, representing the detailed structural information available from SSNMR experiments. The corresponding 91Zr SSNMR spectrum of MIL-140A acquired at a magnetic field of 21.1 T is shown in the bottom right. The background is a perspective view down one of the channels within the MIL-140A crystal structure.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


New 900 publications (Oct 1/14)

189) Kevin M.N. Burgess and David L. Bryce, "On the Crystal Structure of the Vaterite Polymorph of CaCO3. A Calcium-43 Solid-State NMR and Computational Assessment," Solid State Nuclear Magnetic Resonance (2014) online. http://dx.doi.org/10.1016/j.ssnmr.2014.08.003

188) Wei David Wang, Bryan E. G. Lucier, Victor V. Terskikh, Wei Wang, and Yining Huang, "Wobbling and Hopping: Studying Dynamics of CO2 Adsorbed in Metal–Organic Frameworks via 17O Solid-State NMR," Journal of Physical Chemistry Letters 5 (2014) 3360–3365. http://dx.doi.org/10.1021/jz501729d

187) Christopher A. O’Keefe, Karen E. Johnston, Kiplangat Sutter, Jochen Autschbach, Régis Gauvin, Julien Trébosc, Laurent Delevoye, Nicolas Popoff, Mostafa Taoufik, Konstantin Oudatchin, and Robert W. Schurko, "An Investigation of Chlorine Ligands in Transition-Metal Complexes via 35Cl Solid-State NMR and Density Functional Theory Calculations," Inorganic Chemistry 53 (2014) 9581–9597. http://dx.doi.org/10.1021/ic501004u

For other research publications enabled by the 900 NMR Facility (complete list).


"Canadian NMR Research" News Bulletin (Aug 21/14)Summer 2014


Colleagues and fellow MR-enthusiasts,

the Summer 2014 issue of the "Canadian NMR Research" bulletin is now available for download, our traditional mix of news and research updates.

Thank you all who contributed and shared their news with the community. You are welcome to forward this bulletin to your colleagues and students.




New 900 publications (Aug 11/14)

186) Zayd L. Ma, Katherine M. Wentz, Blake A. Hammann, I-Ya Chang, Maisha K. Kamunde-Devonish, Paul H.-Y. Cheong, Darren W. Johnson, Victor V. Terskikh, and Sophia E. Hayes, "Solid State 69Ga and 71Ga NMR study of the nanoscale inorganic cluster [Ga13(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15," Chemistry of Materials (2014) accepted. http://dx.doi.org/10.1021/cm501862u

185) Peng He, Bryan Lucier, Victor Terskikh, Qi Shi, Jinxiang Dong, Yueying Chu, Anmin Zheng, Andre Sutrisno, Yining Huang, "Spies Within Metal Organic Frameworks: Investigating Metal Centers Using Solid-State NMR," Journal of Physical Chemistry C (2014) accepted. (Cover Article) http://dx.doi.org/10.1021/jp5063868

184) Patricia Hee, Randi Christensen, Yannick Ledemi, John C. Wren, Marc Dussauze, Thierry Cardinal, Evelyne Fargin, Scott Kroeker and Younès Messaddeq, "Properties and structural investigation of gallophosphate glasses by 71Ga and 31P nuclear magnetic resonance and vibrational spectroscopies," Journal of Materials Chemistry C (2014) online. http://dx.doi.org/10.1039/c4tc01024h

For other research publications enabled by the 900 NMR Facility (complete list).


New 900 publications (June 23/14)

183) Alexandra Faucher, Victor V. Terskikh, Roderick E. Wasylishen, "Feasibility of Arsenic and Antimony NMR Spectroscopy in Solids: An Investigation of Some Group 15 Compounds," Solid State Nuclear Magnetic Resonance (2014) accepted. http://dx.doi.org/10.1016/j.ssnmr.2014.05.005

182) Margaret A. Hanson, Victor V. Terskikh, Kim M. Baines, Yining Huang, "Chlorine-35 Solid-State NMR Spectroscopy as an Indirect Probe of Germanium Oxidation State and Coordination Environment in Germanium Chlorides," Inorganic Chemistry (2014) online. http://dx.doi.org/10.1021/ic500728w.

181) Timothy R. Field and Alex D. Bain, "Singularities in the Lineshape of a Second-Order Perturbed Quadrupolar Nucleus and their Use in Data Fitting," Solid State Nuclear Magnetic Resonance (2014) accepted. http://dx.doi.org/10.1016/j.ssnmr.2014.05.003

For other research publications enabled by the 900 NMR Facility (complete list).


"Canadian NMR Research" News Bulletin (May 21/14)Spring 2014


Colleagues and fellow MR-enthusiasts,

the Spring 2014 issue of the "Canadian NMR Research" bulletin is now available for download, our traditional mix of news and research updates.

Thank you all who contributed and shared their news with the community. You are welcome to forward this bulletin to your colleagues and students.




Steering Committee Meeting (April 11/14)

the Facility Steering Committee meeting took place at the NMR Facility on April 11, 2014.


900 Theses Defenses (March 10/14)

Rosha Teymoori (University of Alberta) March 7, 2014
Supervisor: Prof. Roderick Wasylishen (Alberta)
Ph.D. Chemistry: "Solid-State Nuclear Magnetic Resonance and Computational Investigations of Half-Integer Quadrupolar Nuclei"


New 900 publications (March 7/14)

175) Andreas Brinkmann and Mattias Eden, "Central-Transition Double-Quantum Sideband NMR Spectroscopy of Half-Integer Quadrupolar Nuclei: Estimating Internuclear Distances and Probing Clusters within Multi-Spin Networks," Physical Chemistry Chemical Physics 16 (2014) online. http://dx.doi.org/10.1039/c4cp00029c

174) Frédéric A. Perras, David L. Bryce, "Theoretical Study of Homonuclear J Coupling Between Quadrupolar Spins: Single-Crystal, DOR, and J-Resolved NMR," Journal of Magnetic Resonance 242 (2014) 23–32. http://dx.doi.org/10.1016/j.jmr.2014.01.015

173) David Bardelang, Andreas Brinkmann, Chris I. Ratcliffe, John A. Ripmeester, Victor Terskikh and Konstantin Udachin, "High Field Solid State 13C NMR Spectroscopy of Cucurbituril Materials," CrystEngComm 16 (2014) accepted. http://dx.doi.org/10.1039/c3ce42467g

For other research publications enabled by the 900 NMR Facility (complete list).


"Canadian NMR Research" News Bulletin (March 3/14)Winter 2014


Colleagues and fellow MR-enthusiasts,

the Winter 2014 issue of the "Canadian NMR Research" bulletin is now available for download, our traditional mix of news and research updates.

Thank you all who contributed and shared their news with the community. You are welcome to forward this bulletin to your colleagues and students.




New 900 publications (Jan 25/14)

172) Piotr Garbacz, Victor V. Terskikh, Michael J. Ferguson, Guy M. Bernard, Mariusz Kędziorek, and Roderick E. Wasylishen, "Experimental Characterization of the Hydride 1H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies," Journal of Physical Chemistry A 118 (2014) online. http://dx.doi.org/10.1021/jp411378j

171) Kevin M.N. Burgess, Yang Xu, Matthew C. Leclerc, and David L. Bryce, "Alkaline-Earth Metal Carboxylates Characterized by 43Ca and 87Sr Solid-State NMR: Impact of Metal-Amine Bonding," Inorganic Chemistry 53 (2014) 552–561. http://dx.doi.org/10.1021/ic402658d

For other research publications enabled by the 900 NMR Facility (complete list).


900 Theses Defenses (Jan 21/14)

Tara Leigh Spencer Noakes (McMaster University) Spring 2014
Supervisor: Prof. Gillian Goward
Ph.D. Chemistry: "Multinuclear NMR Spectroscopy Methods for the Study of Structure and Dynamics in Solid-State Electrolytes for Lithium Ion Batteries"
http://digitalcommons.mcmaster.ca/opendissertations/8627/


Piotr Garbacz (University of Warsaw) December 2013
Supervisors: Prof. Karol Jackowski (Warsaw), Prof. Roderick Wasylishen (Alberta)
Ph.D. Chemistry: "NMR Studies of Magnetic Shielding in Gaseous Hydrogen and Solid Iridium Hydrides"
http://depotuw.ceon.pl/handle/item/433


900 Theses Defenses (Dec 26/13)

Jun Xu (University of Western Ontario) December 2013
Supervisor: Prof. Yining Huang
Ph.D. Chemistry: "Multinuclear Solid-State Nuclear Magnetic Resonance Spectroscopy of Microporous Materials"
http://ir.lib.uwo.ca/etd/1752/

900 Theses Defenses (Nov 13/13)

Brian Lucier (University of Windsor) September 2013
Supervisor: Prof. Robert Schurko
Ph.D. Chemistry: "New Directions for Solid-State NMR of Insensitive Nuclei: Applications to Metal Nuclei in Inorganic Material"
http://scholar.uwindsor.ca/etd/4909/

Peng He (University of Western Ontario) September 2013
Supervisor: Prof. Yining Huang
M.Sc. Chemistry: "Solid State NMR Spectroscopic Studies of Metal-Organic Frameworks"
http://ir.lib.uwo.ca/etd/1640/


CrystEngComm themed issue on NMR Crystallography (Oct 17/13)
 
NMR in crystallography

CrystEngComm

Themed issue: NMR in crystallography

issue 43, 21 November 2013, Page 8589 to 8850

guest-edited by John A. Ripmeester (NRC) and Roderick E. Wasylishen (Alberta)

Canadian contributions

J.A. Ripmeester and R.E. Wasylishen, "NMR crystallography," (Editorial) CrystEngComm 15 (2013) 8598-8598.
http://dx.doi.org/10.1039/c3ce90151c

 
900L. O'Dell, R. He and J. Pandohee, "Identifying H-N proximities in solid-state NMR using 14N overtone irradiation under fast MAS," CrystEngComm 15 (2013) 8657-8667. (Cover Article) http://dx.doi.org/10.1039/c3ce40967h
 
F.A. Perras, I. Korobkov and D.L. Bryce, "NMR Crystallography of Sodium Diphosphates: Combining Dipolar, Shielding, Quadrupolar, Diffraction, and Computational Information," CrystEngComm 15 (2013) 8727-8738. http://dx.doi.org/10.1039/c3ce40875b
 
900B. Zhou, V.K. Michaelis, S. Kroeker, J.E.C. Wren, Y. Yao, B.L. Sherriff, and Y. Pan, "11B and 23Na Solid-State NMR and Density Functional Theory Studies of Electric Field Gradients at Boron Sites in Ulexite," CrystEngComm 15 (2013) 8739-8747. http://dx.doi.org/10.1039/c3ce41251b
 
D.H. Brouwer and K.P. Langendoen, "A graph theory approach to structure solution of network materials from two-dimensional solidstate NMR data," CrystEngComm 15 (2013) 8748-8762.
http://dx.doi.org/10.1039/c3ce41058g
 
900P.J. Pallister, I.L. Moudrakovski, G.D. Enright and J.A. Ripmeester, "Structural assessment of anhydrous sulfates with high field 33S solid state NMR and first principles calculations," CrystEngComm 15 (2013) 8808-8822.
http://dx.doi.org/10.1039/c3ce41233d
 

17O NMR in MOFs

Cover article in the Journal of Physical Chemistry C (August 28/13)

Peng He, Jun Xu, Victor V. Terskikh, Andre Sutrisno, Heng-Yong Nie, and Yining Huang, "Identification of Non-equivalent Framework Oxygen Species in Metal-organic Frameworks by 17O Solid-state NMR," Journal of Physical Chemistry C 117 (2013) 16953–16960. (Cover Article) http://dx.doi.org/10.1021/jp403512m

17O solid-state NMR spectra provide signatures of various oxygen species in metal-organic frameworks. We successfully prepared several prototypical 17O -enriched metal-organic frameworks (MOFs). Due to the diversity of MOF-based materials, different types of MOFs require different isotopic enrichment methods to effectively incorporate 17O from 17O-enriched H2O. Several synthetic strategies for 17O-enrichment were discussed. Using these 17O-enriched MOFs, we were able to acquire 17O solid-state NMR spectra at a magnetic field of 21.1 T. They provide distinct spectral signatures of various key oxygen species commonly existing in representative MOFs.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


8th Solid-State NMR Workshop at CSC 2013 (May 22/13)

The National Ultrahigh-Field NMR Facility for Solids and Bruker Canada are pleased to present the 8th Annual Solid-State NMR Workshop at the 96th Canadian Chemistry Conference and Exhibition in Quebec City (CSC 2013). The workshop will take place Sunday, May 26, 2013, 13:00 - 19:00, in the Québec City Convention Centre.

This annual Canadian solid-state NMR event focuses on the latest developments in solid-state NMR spectroscopy with emphasis on practical aspects and applications in materials and life sciences. The workshop will be of interest not only to NMR spectroscopists, but also to students and other researchers interested in using modern NMR techniques in their research practice.

NMR Workshop program

Download the Workshop Program and Abstracts (PDF)

Session 1 (QCCC, room 304B)
Chair Michèle Auger (Université Laval)


13:00-13:30 Younès Messaddeq (Université Laval)
"New Glassy Materials Based on Heavy Oxides: Properties and Applications"

13:30-14:00 Jun Xu (University of Western Ontario) "Determining the Number of Crystallographically Non-equivalent Sites for Each Element in MOF alfa-Mg3(HCOO)6 by Multinuclear Solid-State NMR at 21.1 T"

14:00-14:30 Kris Harris (McMaster University) "Solid-State NMR Studies of Lithium-Ion Battery Materials"

14:30-15:00 Kevin Burgess (University of Ottawa) "Alkaline-Earth Metal Solid-State NMR Study of Mg, Ca, and Sr Complexes in Organic Molecular Environments"

15:00-15:15 Coffee Break

Session 2 (QCCC, room 304B)
Chair Isabelle Marcotte (Université du Québec à Montréal)

15:15-15:45 Michèle Auger (Université Laval) "2H NMR study of the insertion of the myristoyl group of neuroral calcium sensor proteins in lipid bilayers"

15:45-16:15 Qasim Saleem (University of Toronto) "Lipids in motion: Lateral diffusion of lipids in bilayers measured via 31P CODEX"

16:15-16:45 Martine Monette (Bruker Ltd.) "Lock, gradients and inverse detection - from high resolution to solid state NMR"

16:45 Reception sponsored by Bruker Ltd. (Canada)


25Mg NMR in Mg-MOF

Cover article in Chemistry - A European Journal (March 20/13)

Jun Xu, Victor V. Terskikh, and Yining Huang, "Resolving Multiple Non-Equivalent Metal Sites in Magnesium-Containing Metal-organic Frameworks by Natural Abundance 25Mg Solid-State NMR," Chemistry - A European Journal 19 (2013) 4432–4436. (Cover Article) http://dx.doi.org/10.1002/chem.201300113

Four nonequivalent magnesium sites with very similar local Mg environments in a Mg-containing metal–organic framework, microporous α-Mg3(HCOO)6, have been resolved by 25Mg natural-abundance triple-quantum magic-angle spinning (3QMAS) NMR spectroscopy at an ultrahigh magnetic field of 21.1 T.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


8th Solid-State NMR Workshop at CSC 2013 (Feb 16/13)

The National Ultrahigh-Field NMR Facility for Solids and Bruker Canada are pleased to present the 8th Annual Solid-State NMR Workshop at the 96th Canadian Chemistry Conference and Exhibition in Quebec City (CSC 2013). The workshop will take place Sunday, May 26, 2013, 13:00 - 19:00.

This annual Canadian solid-state NMR event focuses on the latest developments in solid-state NMR spectroscopy with emphasis on practical aspects and applications in materials and life sciences. The workshop will be of interest not only to NMR spectroscopists, but also to students and other researchers interested in using modern NMR techniques in their research practice.

Confirmed speakers: Michèle Auger (Laval), Kevin Burgess (Ottawa), Kris Harris (McMaster), Jun Hu (Western), Younès Messaddeq (Laval), Qasim Saleem (Toronto).

Workshop registration is free, however the space is limited. To register please forward your name and affiliation to Victor.Terskikh@nrc-cnrc.gc.ca


900 Theses Defenses (Jan 17/13)

Monika M.M. Haring (University of Western Ontario) December 2012
Supervisor: Prof. Roberta Flemming
M.Sc. Geology: "Crystal structure and Al/Si cation ordering in "fassaite": A combined single crystal, 27Al and 29Si NMR Study"
http://ir.lib.uwo.ca/etd/1058/

Margaret Hanson (University of Western Ontario) December 2012
Supervisors: Prof. Kim M. Baines and Prof. Yining Huang
Ph.D. Chemistry: "Structural Insights into Group 14 Compounds from Solid-State NMR Spectroscopy"
http://ir.lib.uwo.ca/etd/1032/


73Ge NMR in organogermanates

Cover article in Chemistry - A European Journal (Oct 20/12)

Margaret A. Hanson, Andre Sutrisno, Victor V. Terskikh, Kim M. Baines, Yining Huang, "Solid-State 73Ge NMR Spectroscopy of Simple Organogermanes," Chemistry - A European Journal 18 (2012) 13770–13779. (Cover Article) http://dx.doi.org/10.1002/chem.201201944

Germanium-73 is an extremely challenging nucleus to examine by solid-state NMR spectroscopy, due to its unfavorable NMR properties. Through the use of an ultrahigh (21.1 T) magnetic field, a systematic study of a series of organogermanes was carried out.

900This cover article features results obtained using the 21.1 T solid-state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


900 Theses Defenses (Sept 26/12)

Brandon Greer
(University of Manitoba) August 8, 2012
Supervisor: Prof. Scott Kroeker
M.Sc. Thesis: "Solid-State NMR Characterization of Transition-Metal Bearing Nuclear Waste Glasses"

67Zn NMR in MOFs

Cover article in Chemistry - A European Journal (Sept 19/12)

A. Sutrisno, V.V. Terskikh, Q. Shi, Z. Song, J. Dong, S.Y. Ding, W. Wang, B.R. Provost, T.D. Daff, T.K. Woo, and Y. Huang, "Characterization of Zn-containing MOFs by Solid-state 67Zn NMR and Computational Modeling," Chemistry - A European Journal 18 (2012) 12251–12259. (Cover Article) http://dx.doi.org/10.1002/chem.201201563

Solid-state magic-angle spinning 67Zn NMR spectra of Zn-containing metal–organic frameworks were obtained at an ultrahigh magnetic field of 21.1 T. In combination with molecular modeling, 67Zn NMR data can provide information on the dynamics and distribution of guest species.

MOFs: NMR reveals inner secrets, read the highlights of this project on SpectroscopyNow.com written by David Bradley
http://www.spectroscopynow.com/nmr/details/ezine/139b5aff58c/MOFs-NMR-reveals-inner-secrets.html

900This cover article features results obtained using the 21.1 T solid-state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


acie2012

Cover article in Angewandte Chemie (Aug 14/12)

A closer look: Solid-state 7Li and 17O NMR spectroscopy is a valuable tool in the characterization of products formed in the lithium–oxygen battery, a necessary step in the development of a viable cell. Since lithium peroxide, the desired discharge product, has a unique 17O NMR signature, it can be clearly identified.

Michal Leskes, Nicholas E. Drewett, Laurence J. Hardwick, Peter G. Bruce, Gillian R. Goward, and Clare P. Grey, "Direct Detection of Discharge Products in Lithium–Oxygen Batteries by Solid-State NMR Spectroscopy," Angewandte Chemie International Edition 51 (2012) 8560–8563. (Cover Article) http://dx.doi.org/10.1002/anie.201202183

This cover article is #11 to feature results obtained using resources of the National Ultrahigh-Field NMR Facility for Solids, and the third article in Angewandte Chemie. See the complete list of research publications enabled by the Facility here (complete list).


NMR Facility Annual Report 2011-2012 (July 26/12)

Dear NMR Facility Users:

we are preparing our 2011-2012 Annual Report and we would like to receive the following information from you by the August 25th deadline:

1) a brief progress report for each of your research projects. Please prepare a separate report for each project, regardless of whether the project has ended or not. Each report should illustrate for non-NMR specialists major project findings and should normally not exceed one-two pages (text and figures) (preferably MS Word format, or an ASCII text + figures separately). Selected progress reports will be included in the printed version of the Annual Report (previous reports)

2) 2011-2012 research publications featuring results from the 900 instrument (published, accepted, submitted)

3) 2011-2012 : Honor thesis, Ph.D. thesis and similar works by your students using the 900 results (please indicate name of the student, department, title of thesis, date of the defence)

4) any other relevant information you may consider useful including in our report

Let me know if any questions, and thank you for your contribution!

On behalf of the Facility Steering Committee,

Victor Terskikh (E-mail)


Steering Committee Meeting (May 27/12)

the Facility Steering Committee meeting took place May 27, 2012 during CSC 2012 in Calgary.


7th Solid-State NMR Workshop at CSC 2012 (May 16/12)

The National Ultrahigh-Field NMR Facility for Solids and Bruker Canada are pleased to present the 7th Annual Solid-State NMR Workshop at the 95th Canadian Chemistry Conference and Exhibition in Calgary (CSC 2012). The workshop will take place on Saturday, May 26, 2012, 13:00 - 19:00, in the Calgary TELUS Convention Centre.

This annual Canadian solid-state NMR event focuses on the latest developments in solid-state NMR spectroscopy with emphasis on practical aspects and applications in materials and life sciences. The workshop will be of interest not only to NMR spectroscopists, but also to students and other researchers interested in using modern NMR techniques in their research practice.

Download the Workshop Program and Abstracts (PDF)

Workshop program

Session 1 (CTCC, Chinook 4), Chair David Bryce (University of Ottawa)

13:00-13:05 David Bryce (University of Ottawa) Opening comments

13:05-13:25 Anne-Marie Thompson (NSERC) "Major Resources Support program" (brief presentation and discussion)

13:25-13:50 Roderick Wasylishen (University of Alberta) "High-Field NMR Studies of Strontium-87 in Solids"

13:50-14:15 Brandon Greer (University of Manitoba) "Characterisation of Chromium-bearing "Yellow Phase" in Model Nuclear Waste Glasses by Multinuclear Magnetic Resonance Spectroscopy"

14:15-14:40 Venkataraman Thangadurai (University of Calgary) "Evaluation of Structure, Ion-Exchange and Transport Properties of Fast Li ion Conducting Garnet-type Solid Electrolytes by Solid State Li NMR Spectroscopy and AC Impedance"

14:40-15:00 Coffee Break

Session 2 (CTCC, Chinook 4), Chair Scott Kroeker (University of Manitoba)

15:00-15:25 Robin Stein (Bruker Canada) "Proton Solid-State NMR Crystallography"

15:25-15:50 Frédéric Perras (University of Ottawa) "35Cl Solid-State NMR of Covalently-Bound, Organic, Chlorine at 21.1 T and the use of QUEST (QUadrupolar Exact SofTware)"

15:50-16:15 Bryan Lucier (University of Windsor) "Solid-State NMR Investigations of 'Stacked' Square-Planar Pt(II) Systems"

16:15-16:40 Andreas Brinkmann (NRC Canada) "Dipolar Recoupling in Fast Magic-Angle-Spinning NMR at High Magnetic Fields"

16:40-17:05 Gillian Goward (McMaster University) "Measuring Ion Dynamics by NMR Observations from the Point of View of the Host Lattice"

17:10 Reception sponsored by Bruker Canada


100 kHz MAS (April 29/12)

Dr. Ago Samoson (Tallinn University of Technology) was visiting the 900 NMR Facility in early April. He brought along a 100 kHz MAS probe of his own built to explore the advantages of combining ultrahigh magnetic fields with very (!) fast magic angle spinning in solid-state NMR. The probe is currently at the NMR Facility on loan. Thanks, Ago!100 kHz MAS

April 2012
(L-R) Leigh Spencer and Nicole De Almeida (McMaster), Ago Samoson (TTU), Andreas Brinkmann (NRC Canada).

Thesis Defenses (April 25/12)

Congratulations to the 900 Facility users who have recently defended their theses !

Andre Sutrisno
(University of Western Ontario) April 2012
Supervisor: Prof. Yining Huang
Ph.D. thesis: "Solid-State Nuclear Magnetic Resonance Spectroscopy of Low-Gamma Quadrupolar Nuclei in Inorganic Materials"
External Examiner: Prof. Darren Brouwer (Redeemer University College)

Cory Widdifield (University of Ottawa) February 2012
Supervisor: Prof. David Bryce
Ph.D. thesis: "Multinuclear Solid-State Magnetic Resonance Studies on ‘Exotic’ Quadrupolar Nuclei: Acquisition Methods, High-Order Effects, Quantum Chemical Computations, and NMR Crystallography"
External Examiner: Prof. William Power (University of Waterloo)
http://www.ruor.uottawa.ca/en/handle/10393/20722

NMR paper in Angewandte Chemie (March 14/12)

Frédéric A. Perras and David L. Bryce, "Direct Investigation of Covalently Bound Chlorine in Organic Compounds by Solid-State 35Cl NMR Spectroscopy and Exact Spectral Line-Shape Simulations," Angew. Chem. Int. Ed.
51 (2012) 4227–4230. http://dx.doi.org/10.1002/anie.201200728

This is a second publication in Angewandte Chemie featuring results 900obtained using resources of the National Ultrahigh-Field NMR Facility for Solids. See the complete list of research publications enabled by the Facility here (complete list).


Eric's new assignment (March 4/12)

After four years with the 900 NMR Facility Eric Ye has been transferred to work with Glenn Facey at the Chemistry Department, University of Ottawa. During his term with the 900 Facility Eric has become a real VIP of the 900 team. Eric's expert knowledge of NMR and his always friendly disposition will be missed by many Facility users. To contact Eric and to wish him the best at his new position http://www.nmr.uottawa.ca/en/welcome.html
Eric Ye

February 2012
(L-R) Dr. Eric Ye, Prof. Gillian Goward (McMaster), Dr. Michal Leskes (RA, University of Cambridge), Zoe Reeve (graduate student, McMaster).

Thesis Defenses (Feb 7/12)

Congratulations to the 900 Facility users who have recently defended their theses !

Robert Attrell
(University of Ottawa) December 2011
Supervisor: David Bryce
M.Sc. thesis: "A Solid-State 35Cl and 81Br NMR and Computational Study of Chlorine and Bromine Electric Field Gradient and Chemical Shift Tensors in Haloanilinium Halides"

Becky Chapman
(University of Ottawa) November 2011
Supervisor: David Bryce
Ph.D. thesis: "Development and Application of Chlorine Solid-State Nuclear Magnetic Resonance and Quantum Chemical Calculations to the Study of Organic and Inorganic Systems"


report

2010-2011 Annual Report (Jan 24/12)

the 2010/11 Annual Report of the 900 NMR Facility has been finalized and is now available for download.

We would like to thank all who contributed to this report, and to acknowledge our many users, clients, partners and funding agencies for continuing support of the 900 project.


Steering Committee Meeting (Dec 9/11)

the Facility Steering Committee meeting took place at the NMR Facility on December 9, 2011.


User fees increase (Sept 8/11)

The current low nominal user fees have been in place since 2005 thanks to a generous CFI Infrastructure Operating grant. Due to the conclusion of this non-renewable grant there will be an increase in the user fees effective October 1, 2011 as follows:

Canadian academic users $CA 250 per day
Government, non-Canadian academic $CA 500 per day
Industry $CA 2500 per day
Technical assistance/operator $CA 100 per hour

The Steering Committee would like to point out that the increased Canadian academic rate still only covers a fraction of the operating costs of the facility.

The student travel grant program has temporarily been suspended until new funding sources are identified.

If you have any questions or concerns, please contact any member of the Facility Steering Committee.


Canadian Journal of Chemistry, Special Issue Dedicated to Professor R.E. Wasylishen (Sept 6/11)

CJC 2011


Canadian Journal of Chemistry, Volume 89, Number 7 (2011) (part 1 of 2)
http://www.nrcresearchpress.com/toc/cjc/89/7

Canadian Journal of Chemistry, Volume 89, Number 9 (2011) (part 2 of 2)
http://www.nrcresearchpress.com/toc/cjc/89/9

David Bryce, Gang Wu, Yining Huang, "Tribute: Professor Roderick E. Wasylishen," Canadian Journal of Chemistry 89 (2011) xi-xvi. (Special Issue) http://dx.doi.org/10.1139/v11-067



Cover article in Physical Chemistry Chemical Physics (July 4/11)

PCCP 2011

Cory M. Widdifield, Alex D. Bain, and David L. Bryce, "Definitive Solid-State 185/187Re NMR Spectral Evidence for and Analysis of the Origin of High-Order Quadrupole-Induced Effects for I = 5/2," Physical Chemistry Chemical Physics 13 (2011) 12413-12420. (Cover Article) http://dx.doi.org/10.1039/c1cp20572b


Thi
s is the tenth cover article featuring results obtained using 900resources of the National Ultrahigh-Field NMR Facility for Solids. See our cover gallery and the complete list of research publications enabled by the Facility here (complete list).



International Advisory Board Meeting (June 10/11)

the Facility International Advisory Board meeting took place on June 5, 2011 during CSC 2011 in Montreal.


SIMS Seminar (May 25/11)

Steacie Institute for Molecular Sciences Colloquium Series
Speaker: Dr. Roderick E. Wasylishen, University of Alberta
Date: June 3rd, 2011
Time: 10:30 am
Location: Rm 3001, 100 Sussex Drive
Visitors from outside NRC are asked to register in advance. Please send email to [shan.zou "at" nrc.ca
]

From NMR of Liquids and Gases to Solids - reflections of an ardent fan

Roderick E. Wasylishen

Gunning-Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2

Nuclear magnetic resonance spectroscopy is arguably the most powerful and diverse research tool available to scientists. NMR may be used to investigate atoms or molecules in the gaseous, liquid or solid state and has many useful applications. For example, the NMR technique can be used to map water density in the human body (MRI) or in fuel cells, measure hemodynamic response related to neural activity in the human brain (functional MRI), probe the three-dimensional structure of biological macromolecules in solids and liquids, assist synthetic chemists during the preparation of complex organometallic catalysts, provide information about the structure of solid materials that are not amenable to X-ray diffraction, and characterize hydrocarbon reservoirs in situ (NMR well logging). I first became fascinated by NMR spectroscopy because of the tight link between spectroscopy and quantum theory; one could analyze complex high-resolution NMR spectra using relatively simple quantum mechanical procedures. In this presentation I will review some of the progress in the field of NMR and focus on recent efforts to investigate little-studied and considered difficult quadrupolar nuclei such as 69/71Ga, 75As, 87Sr, 113/115In, and 121/123Sb via solid-state NMR. While NMR studies of such isotopes remain challenging, the use of moderate to high magnetic field strengths together with various signal enhancement techniques makes these studies feasible and is leading to interesting applications in inorganic and organometallic chemistry. I will provide a brief tour of the NMR periodic table as it pertains to non-integer spin quadrupolar nuclei, focusing on the importance of using high magnetic field strengths.

Rod Wasylishen
Prof. Roderick Wasylishen is spending his sabbatical (February-June 2011) in Ottawa, at NRC's Steacie Institute for Molecular Sciences and the National Ultrahigh-Field NMR Facility for Solids. Photo (L-R): Luke O'Dell, Jamie Bennett, Andreas Brinkmann, Rod Wasylishen, Igor Moudrakovski, Victor Terskikh, Eric Ye.


6th Solid-State NMR Workshop at CSC 2011 (May 24/11)

The National Ultrahigh-Field NMR Facility for Solids and Bruker Canada are pleased to present the 6th Annual Solid-State NMR Workshop at the 94th Canadian Chemistry Conference and Exhibition in Montreal (CSC 2011). The workshop will take place on Sunday afternoon, June 5, 2011 in the Palais des congrès de Montréal.

This annual Canadian solid-state NMR event focuses on the latest developments in solid-state NMR spectroscopy with emphasis on practical aspects and applications in materials and life sciences. The workshop will be of interest not only to NMR spectroscopists, but also to students and other researchers interested in using modern NMR techniques in their research practice.

Download the Workshop Program and Abstracts (PDF)

Workshop program

Session 1 (Palais, room 513D)
Chair Andreas Brinkmann (NRC Canada)

13:00-13:25 Stephen Hartman (Brock University) "NMR Studies of Nitrogen- and Aluminum-doped Silicon Carbide Polytypes"

13:25-13:50 Luke O'Dell (Steacie Institute for Molecular Sciences, NRC Canada) "New Possibilities for 14N Overtone NMR Spectroscopy"


13:50-14:15 Yining Huang (University of Western Ontario) "67Zn Solid-State NMR Characterization of Zn Environments in Metal-Organic Frameworks"

14:15-14:40 Frank Engelke (Bruker Germany) "A Brief Discourse on Magic Angle Spinning Technology"

14:40-15:00 Coffee Break

Session 2 (Palais, room 513D)
Chair Gang Wu (Queen's)

15:00-15:25 Alexandre Arnold (Université du Québec à Montréal) "Structure Determination of Collagen and Silk-Type Environments in the Blue Mussel Mytilus Edulis Byssal Threads"

15:25-15:50 Patrick Walsh (The Hospital for Sick Children, University of Toronto) "Solid-State NMR Characterization of a Soluble Prion Protein Octamer"

15:50-16:15 Karen Johnston (University of Windsor) "A 35Cl Solid-State NMR Study of Transition-Metal Organometallic Complexes Using Ultra-High Field NMR"

16:15-16:40 Robert Attrell (University of Ottawa) "Chlorine-35 and Bromine-81 Solid-State NMR Spectroscopic Study of Haloanilinium Halide Salts"

16:45 Reception sponsored by Bruker Canada


myPulse (May 17/11)

Dr. Eric Ye (900 NMR Facility/University of Ottawa) has written an applet myPulse (beta version) to calculate the new 90 pulse length, power level and r.f. frequency based on known initial pulse parameters (us, dB) assuming the linear amplifier response. The applet is written in Python and works in the Bruker’s TopSpin environment.

myPulse

The purpose of this applet is similar to the popular Bruker’s pulse program, however the initial parameter input is manual, i.e. does not automatically use p1 (us) and pl1 (dB) values from the currently open dataset. Please enquire if you would like to test this applet and to provide your comments and suggestions. Email: Victor.Terskikh@nrc-cnrc.gc.ca


PCCP lists 25 most cited Canadian research articles (April 17/11)

Physical Chemisty Chemical Physics has announced that the Canadian Society for Chemistry (CSC) is now one of its co-owner societies. To celebrate this new partnership, PCCP has created a collection of 25 top cited articles from authors based in Canada to showcase some of the great Canadian research published in PCCP. Five articles on this list are from Canadian solid-state NMR research groups, including four papers enabled by the National Ultrahigh-Field NMR Facility for Solids.

900C.M. Widdifield and D.L. Bryce, "Crystallographic Structure Refinement with Quadrupolar Nuclei: a Combined Solid-State NMR and GIPAW DFT Example Using MgBr2," Physical Chemistry Chemical Physics 11 (2009) 7120-7122. http://dx.doi.org/10.1039/b911448n
 
900D.H. Brouwer, S. Alavi and J.A. Ripmeester, "NMR Crystallography of p-tert-Butylcalix[4]arene Host-Guest Complexes Using 1H Complexation-Induced Chemical Shifts," Physical Chemistry Chemical Physics 10 (2008) 3857-3860. (Cover Article) http://dx.doi.org/10.1039/b805326j
 
900L.A. O'Dell and R.W. Schurko, "Static solid-state 14N NMR and computational studies of nitrogen EFG tensors in some crystalline amino acids," Physical Chemistry Chemical Physics 11 (2009) 7069-7077. http://dx.doi.org/10.1039/b906114b
 
S. Cadars, D.H. Brouwer and B.F. Chmelka, "Probing local structures of siliceous zeolite frameworks by solid-state NMR and first-principles calculations of 29Si–O–29Si scalar couplings," Physical Chemistry Chemical Physics 11 (2009) 1825-1837. http://dx.doi.org/10.1039/b815361b
 

900M.A.M. Forgeron and R.E. Wasylishen, "Molybdenum magnetic shielding and quadrupolar tensors for a series of molybdate salts: a solid-state 95Mo NMR study," Physical Chemistry Chemical Physics 10 (2008) 574-581. http://dx.doi.org/10.1039/b713276j



900 NMR Facility in the news (March 4/11)

ACCN the Canadian Chemical News,
March, 2011
Latest News:New NMR Technique Solves Oxygen Puzzle (online)
(print, ACCN, Volume 63, Number 3, p. 9)


C&EN News of the Week: Elevating Oxygen (Jan 3/11)

Two recent NMR papers by Gang Wu (Queen's) and coworkers are highlighted by Chemical & Engineering News in their first issue of 2011.

http://pubs.acs.org/cen/news/89/i01/8901notw4.html

Both papers deal with 17O NMR in large protein complexes, in solution and in solid state. New research approaches proposed by Gang Wu and his team have potential to significantly advance the field of protein NMR spectroscopy.

Jianfeng Zhu and Gang Wu, "Quadrupole Central Transition 17O NMR Spectroscopy of Biological Macromolecules in Aqueous Solution," Journal of the American Chemical Society 133 (2011) ASAP. http://dx.doi.org/10.1021/ja1079207

Jianfeng Zhu, Eric Ye, Victor Terskikh, and Gang Wu, "Solid-State 17O NMR Spectroscopy of Large Protein-Ligand Complexes," A
ngewandte Chemie International Edition 49 (2010) 8399-8402. (Cover Article) http://dx.doi.org/10.1002/anie.201002041

Part of this research was made possible using resources of the National Ultrahigh-Field NMR Facility for Solids. See the complete list of research publications enabled by the Facility here (complete list).