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Canadian NMR News (updated regularly) >>>
What's new at the NMR Facility
75)
Joseph
W.E. Weiss and David L. Bryce, "A Solid-State 11B
NMR and Computational Study of Boron Electric Field Gradient
and Chemical Shift Tensors in Boronic Acids and Boronic
Esters," Journal of Physical Chemistry A
114 (2010) accepted.
Other research publications enabled by the NMR Facility
(complete list)
the Facility Steering Committee meeting took place at the NMR Facility today, March 10, 2010.
74) Fu Chen, Guibin Ma, Guy Bernard, Ronald Cavell, Robert McDonald, Michael Ferguson, Roderick Wasylishen, "Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts," Journal of the American Chemical Society 132 (2010) accepted.
73)
Gang
Wu, Jianfeng Zhu, Xin Mo, Ruiyao Wang, and Victor Terskikh,
"Solid-state 17O NMR and computational studies of C-nitrosoarene
compounds," Journal of the American Chemical Society
132 (2010) accepted.
Other research publications enabled by the NMR Facility
(complete list)
Our
first NMR probe capable of triple resonance experiments,
4mm HCN CP/MAS Bruker, was delivered in 2008. While work
at the Facility is underway to develop a broadband HXY probe,
the existing probe has been modified to allow our users
to perform a broader range of triple resonance experiments.
Most recently this probe was successfully tested in the
H/B/N modification, with performance on 11B channel meeting
our expectations. It is now possible to adjust the high
frequency (X) channel to any desirable frequency between
13C and 11B, which covers such important nuclei as 27Al,
23Na, 79/81Br, and 129Xe. We are investigating if similar
modifications can be done for the low frequency channel.
This exciting for many our users development was made possible
due to efforts of our NMR probe technician, Paul Morris.
Thank you, Paul !
For more information on available NMR probes follow
this link.
72)
Igor Moudrakovski, Rouhollah Alizadeh, James J. Beaudoin,
"Natural abundance high field 43Ca solid state NMR
in cement science," Physical Chemistry Chemical
Physics 12 (2010) accepted.
71) Andre Sutrisno, Margaret A. Hanson, Paul A. Rupar,
Victor V. Terskikh, Kim M. Baines, and Yining Huang, "Exploring
the limits of 73Ge solid-state NMR spectroscopy at ultrahigh
magnetic field," Chemical Communications 46
(2010) accepted.
Other research publications enabled by the NMR Facility (complete list)
The
National Ultrahigh-Field NMR Facility for Solids is conducting
the Facility user survey. Please contact Victor Terskikh
if you would like to participate.
The
National Ultrahigh-Field NMR Facility for Solids and Bruker Canada
are pleased to present the 5th Annual Solid-State NMR Workshop at
the 93rd Canadian Chemistry Conference and Exhibition in Toronto
(CSC 2010). The workshop will take place on Saturday afternoon,
May 29, 2010.
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
Alex Bain (McMaster)
Scott Kroeker (Manitoba)
Peter Pallister (Carleton/NRC)
Leigh Spencer (McMaster)
Andre Sutrisno (Western)
Cory Widdifield (Ottawa)
Registration for the NMR Workshop is free but space is limited.
To register please forward your name and affiliation to Victor Terskikh
Email: Victor.Terskikh@nrc-cnrc.gc.ca
Note that the NMR Workshop registration is separate and independent
from the CSC 2010 conference registration.
70) Cory M. Widdifield and David L. Bryce, "Solid-State 79/81Br NMR and Gauge-Including Projector-Augmented Wave Study of Structure, Symmetry, and Hydration State in Alkaline Earth Metal Bromides," Journal of Physical Chemistry A 114 (2010) ASAP. http://dx.doi.org/10.1021/jp909106j
68) Kamal H. Mroué, Abdul-Hamid M. Emwas, and William P. Power, "Solid-state 27Al Magnetic Resonance Investigation of Three Aluminum-Centred Dyes," Canadian Journal of Chemistry 88 (2010) 111-123. http://dx.doi.org/10.1139/V09-155
Other research publications enabled by the NMR Facility (complete list)
The
Avance II 900 NMR spectrometer has been in service for over four
years already, acquiring spectra 24/7 with virtually no downtime.
To ensure the best system performance and improved reliability for
many years to come the Facility Steering Committee has approved
a series of upgrades which are currently being implemented.
Last
week the software was upgraded from TopSpin 1 to TopSpin 2, which
also involved the complete workstation replacement. All user accounts
and data have been successfully transferred over. The
satellite data backup and archival server is in the process of replacement.
As part of this upgrade and also as preventative maintenance some
hardware components in the spectrometer have been replaced with
newer and more advanced versions.
Our NMR Facility strives to be at the forefront of solid-state NMR
research providing the Canadian NMR community with the state-of-the-art
instrumentation. Thank you for supporting our efforts!
 |
Crystalline beta-Barium Borate is an important nonlinear optical material often used in frequency mixing. Interestingly enough, even though beta-Barium Borate has been known for years, there still exists a controversy about its true crystallographic space group. That is existed until now! In this cover article in the Journal of Physical Chemistry C a research team from the University of Western Ontario has solved this problem using ultrahigh-field solid-state NMR spectroscopy and quantum chemical calculations. |
Andre
Sutrisno, Cheng Lu, Robert Lipson, Yining Huang, "Combined
135/137Ba Solid-state NMR at an Ultrahigh Magnetic Field and Computational
Study of beta-Barium Borate," Journal
of Physical Chemistry C 113 (2009) 21196–21201.
(Cover Article) http://dx.doi.org/10.1021/jp9044786
This is a seventh cover article featuring results obtained
using resources 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).
Our
congratulations to recent travel grant recipients !
Margaret Hanson (University of Western Ontario)
Vladimir Michaelis (University of Manitoba)
Brandon Greer (University of Manitoba)
Andre Sutrisno (University of Western Ontario)
Travel
support program for students and young scientists
Students and young scientists from Canadian Universities are welcome
to apply for a travel stipend towards full or partial reimbursement
of their travel expenses incurred while visiting the 900 NMR Facility.
All requests should be submitted by a supervisor in advance of the
trip and include a cost estimate. Requests should be forwarded to
the Facility manager for review and
approval by the Steering Committee.
69) Thushan Pathmalingam, Fatemah Habib, Cory M. Widdifield, Francis Loiseau, Tara J. Burchell, Serge I. Gorelsky, André M. Beauchemin, David L. Bryce and Muralee Murugesu, "Combining Oximes with Azides to Create a Novel 1D Chain [NaCoIII2] System: Synthesis, Structure, and Solid-State NMR," Dalton Transactions (2010) online. http://dx.doi.org/10.1039/b918082f
Other research publications enabled by the NMR Facility (complete list)
Magic
angle adjustment in MAS probes is commonly performed by observing ST spinning
sidebands in 79Br MAS NMR spectra of KBr at low spinning speeds. The magic
angle is set correctly when the sidebands have the highest intensity.
A Hall effect magnetic flux sensor can be used for the same purpose [1],
for example in low-gamma MAS probes incapable of 79Br NMR. We have recently
tested this approach at the 900 NMR Facility: The figure shows the normalized
intensity of the 79Br ST spinning sidebands in KBr versus the Hall voltage
measured. This Hall sensor will be used for magic angle setup in a 2.5
mm boron-free MAS probe which is currently under construction.
For
more information see
[1] S. Mamone, A. Dorsch, O.G. Johannessen, M.V. Naik, P.K. Madhu, M.H. Levitt, "A Hall effect angle detector for solid-state NMR," Journal of Magetic Resonace 190 (2008) 135-141. http://dx.doi.org/10.1016/j.jmr.2007.07.012
68) Kamal H. Mroué and William P. Power, "High-Field Solid-State 67Zn NMR Spectroscopy of Several Zinc-Amino Acid Complexes," Journal of Physical Chemistry A (2009) ASAP. http://dx.doi.org/10.1021/jp908325n
64) Peter G. Gordon, Darren H. Brouwer, John A. Ripmeester, "Probing the Local Structure of Pure Ionic Liquid Salts with 35Cl, 79Br and 127I Solid- and Liquid-State NMR," ChemPhysChem (2009) online. http://dx.doi.org/10.1002/cphc.200900624
Other research publications enabled by the NMR Facility (complete list)
the Facility Steering Committee meeting took place at the NMR Facility on November 5th, 2009.
66) Igor Moudrakovski, Stephen Lang, Serguei Patchkovskii and John Ripmeester, "High Field 33S Solid State NMR and First-Principles Calculations in Potassium Sulfates," J. Phys. Chem. A (2009) ASAP. http://dx.doi.org/10.1021/jp908206c
Other research publications enabled by the NMR Facility (complete list)
 |
2008-2009
Annual Report (Oct 29/09) |
65) 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) online. http://dx.doi.org/10.1039/b916076k
Other research publications enabled by the NMR Facility (complete list)
Friday, September 4, 2009, at 11:30 am
University of Ottawa (D’Iorio Hall, room 214)
Prof. Gillian Goward (McMaster) "Ion Dynamics and Transport Phenomena in Materials for Energy Storage and Conversion" (inquire with David Bryce)
web: http://www.chemistry.mcmaster.ca/people/faculty/goward/index.html
 |
This high-profile special issue of PCCP guest-edited by Paul Hodgkinson (Durham, UK) and Stephen Wimperis (Glasgow, UK) will be presented to the participants of the upcoming 6th Alpine Conference on Solid-State NMR in September 2009 (conference web-site). Among many excellent reviews and research papers highlighting recent trends and progress in the field of solid-state NMR spectroscopy there are three 900 papers, including the front cover article by Gang Wu's group from Queen's. Physical Chemistry Chemical Physics, volume 11, issue 32, 2009 |
Jianfeng
Zhu, Amanda J. Geris and Gang Wu, "Solid-state 17O NMR as a sensitive
probe of keto and gem-diol forms of alpha-keto acid derivatives," Physical
Chemistry Chemical Physics 11 (2009) 6972-6980.
(Cover Article, Themed
Issue) http://dx.doi.org/10.1039/b906438a
Rebecca P. Chapman and David L. Bryce, "Application of Multinuclear Magnetic Resonance and Gauge-Including Projector-Augmented Wave Calculations to the Study of Solid Group 13 Chlorides," Physical Chemistry Chemical Physics 11 (2009) 6987-6998. (Invited Article, Themed Issue) http://dx.doi.org/10.1039/b906627f
Luke
A. O'Dell and Robert 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. (Invited Article, Themed
Issue) http://dx.doi.org/10.1039/b906114b
 |
Quadrupolar
halogens find widespread use i.e. in pharmaceutical formulations.
Solid-state NMR provides a direct mean to probe local halogen |
Rebecca
P. Chapman, Cory M. Widdifield and David
L. Bryce,
"Solid-State NMR of Quadrupolar Halogen Nuclei," Progress
in Nuclear Magnetic Resonance Spectroscopy 55 (2009) 215–237.
(Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2009.05.001
See other publications enabled by the 900 NMR Facility here
 |
Unique instrumentation available at the 900 NMR Facility allows our users to deal with systems and nuclei inaccessible before with NMR at lower fields. One example is 73Ge NMR in solids which was previously limited only to highly symmetric environments. In this cover article just published by Chemical Communications a research team from the University of Manitoba and NRC-SIMS is reporting natural abundance 73Ge NMR spectra in much more challenging amorphous and crystalline germanium oxides. Work continues on even more complex glasses and crystalline phases to address long-standing fundamental questions in glass science, such as the ‘‘germanate anomaly’’. |
Vladimir K. Michaelis, Pedro M. Aguiar, Victor V. Terskikh and Scott Kroeker, "Germanium-73 NMR of Amorphous and Crystalline GeO2," Chemical Communications (2009) 4660-4662. (Cover Article) http://dx.doi.org/10.1039/b906642j
See other publications by users of the 900 NMR Facility here
Dear NMR Facility Users:
we are preparing our 2008-2009 Annual Report, and we would like to receive the following information from you by the end of August:
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) all 2008-2009 research publications featuring results from the 900 instrument (published, accepted, submitted)
3) invited lectures and oral presentations in 2008-2009
4) poster presentations in 2008-2009
5) 2008-2009 : 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 defense)
6) 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)
The
annual meeting of the Facility International Advisory Board took place in
Ottawa on May 11, 2009.
the 900 team (left to right): Victor Terskikh (NMR Facility), John Ripmeester (NRC-SIMS), Marek Pruski (Ames Laboratory, Iowa State University), Timothy Cross (National High Magnetic Field Laboratory, Tallahassee), Michèle Auger (Université Laval), Arno Kentgens (Radboud University, Nijmegen), David Bryce (University of Ottawa), Roderick Wasylishen (University of Alberta), Yining Huang (University of Western Ontario). Not pictured: Jamie Bennett (NRC-SIMS), Eric Ye (NMR Facility), Paul Morris (NMR Facility).
A
WURST-QCPMG NMR technique has recently been introduced by Luke O'Dell and
Rob Schurko (Windsor)
to achieve uniform excitation of quadrupolar nuclei across very wide bandwidth.
Using this approach wideline spectra of stationary samples can now be acquired
with no need or just minimal transmitter frequency adjustment. The spectrum
shown was acquired in about 1 hour by co-adding 10 individual pieces. Experiments
were performed by Luke O'Dell, who also kindly provided the WURST-QCPMG pulse
sequence for the 900 MHz NMR instrument. This pulse program is now available
to our users. For more information about WURST-QCPMG:
L.A. O'Dell and R.W. Schurko, "QCPMG Using Adiabatic Pulses for Faster Acquisition of Ultra-Wideline NMR Spectra," Chem. Phys. Lett. 464 (2008) 97-102. http://dx.doi.org/10.1016/j.cplett.2008.08.095
Another
milestone has been reached with the publication of the 50th peer-reviewed paper
featuring results obtained on the Facility's 900 MHz NMR instrument. The paper
just accepted by the Journal of Physical Chemistry deals with 47/49-Ti
NMR in layered titanium phosphates. Titanium NMR is notoriously difficult in
solid state, yet using the Facility's unique resources this challenging task
has been successfully tackled by a team of researchers from the University of
Western Ontario and the University of Ottawa.
Jianfeng Zhu, Nick Trefiak, Tom Woo, Yining Huang, "A 47/49Ti Solid-State NMR Study of Layered Titanium Phosphates at Ultrahigh Magnetic Field," Journal of Physical Chemistry C 113 (2009) 10029–10037. http://dx.doi.org/10.1021/jp901235w
Kudos to them and to all our users who continue to impress the international NMR community with the high level of solid-state NMR research in Canada.
See other research publications enabled by the Facility here.
The
National Ultrahigh-Field NMR Facility for Solids is very pleased to announce
that our application to NSERC for continued Major Resources Support (MRS)
funding has been successful. Funding has been approved at a level of $88,600
per year for each of the next five years. This award is critical to the ongoing
operations of the facility. The funding also means that the Facility will
be able to continue to provide travel grants for users, increase outreach
activities, hold annual workshops, and sponsor regional NMR meetings. I would
like to thank Victor Terskikh for his outstanding contributions to the operation
of the Facility and also to the preparation of the grant proposal. Thanks
also to all co-applicants on the proposal: John Ripmeester, Rod Wasylishen,
Christian Detellier, Michèle Auger, Yining Huang, Rob Schurko, Scott
Kroeker, Gillian Goward, Gang Wu, and Simon Sharpe.
David Bryce, chair of the Facility Steering Committee
The
National Ultrahigh-Field NMR Facility for Solids wishes to extend its sincere
thanks to the outgoing members of our International Advisory Board (IAB) serving
in 2005-2008. Over the past three years, Prof. Jean-Paul Amoureux (Lille,
France), Dr. Paul Ellis (PNNL, USA), and Prof. Mark Smith (Warwick,
UK) have provided the Steering Committee with invaluable input and advice
on facility operations and helped keep us abreast of new opportunities.
The Facility is proud to announce that Dr. Mona Nemer, the Vice-President
(Research) of the University of Ottawa, and Dr. Pierre Coulombe, the President
of the National Research Council Canada, have jointly appointed Prof. Timothy
Cross (Florida, USA), Prof. Arno Kentgens (Nijmegen, The Netherlands),
and Prof. Marek Pruski (Iowa, USA) to serve on the IAB for the next
three years.
Prof.
Cross is the NMR Spectroscopy and Imaging Program Director at the
National High Magnetic Field Laboratory in Tallahassee. Prof.
Kentgens is the Head of the Dutch National Solid-State NMR Facility
for Advanced Materials Science. Prof.
Pruski is a Senior Scientist in the Ames Laboratory at Iowa State
University. We look forward to the suggestions and recommendations of these
highly distinguished NMR experts to keep the Facility at the forefront of
solid-state NMR research.