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Archive - NMR Seminars and Workshops


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)"

15:50-16:15Bryan 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


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


Solid-State NMR Workshop at CSC 2010 (May 1/10)

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 in the Metro Toronto Convention Centre MTCC.

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 (MTCC, room 203B)
Chair John Ripmeester (NRC Canada)

13:00-13:30 Scott Kroeker (University of Manitoba) "Further Adventures with 73Ge NMR of Solids: Halides and Oxides"

13:30-14:00 Andre Sutrisno (University of Western Ontario) "Natural Abundance Solid-State 73Ge and 67Zn Wideline NMR Studies at Ultrahigh Magnetic Field"

14:00-14:30 Leigh Spencer (McMaster University) "Materials for Lithium Ion Batteries: A Solid-State NMR Analysis"

14:30-15:00 Fabien Aussenac (Bruker France) "Solid-State NMR Dynamic Nuclear Polarization at 263 GHz"

15:00-15:15 Coffee Break

Session 2 (MTCC, room 203B)
Chair Roderick Wasylishen (University of Alberta)

15:15-15:45 Alex Bain (McMaster University) "Probing Spectra of Big Quadrupoles"

15:45-16:15 Cory Widdifield (University of Ottawa) "Solid-State 127I NMR Spectroscopy and GIPAW DFT Calculations of Inorganic Iodide Systems: Structure, Symmetry, and 'Beyond Second-Order" Quadrupole-Induced Shifts"

16:15-16:45 Peter Pallister (Carleton University) "33S Ultrahigh-Field Solid-State NMR and First Principles Calculations in Various Sulfate Systems"

16:45-17:15 Faciliy Users Meeting David Bryce & Victor Terskikh "National Facility user survey results and overview of application procedures"

17:15 Reception sponsored by Bruker Canada


NMR seminar : University of Ottawa, Department of Chemistry

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


NMR Seminar : NRC-SIMS

Speaker: Dr. Luke O’Dell, Department of Chemistry and Biochemistry, University of Windsor, ON

Title: New Methods for Broadband Excitation in Solid-State NMR of Quadrupolar Nuclei

Date: Wednesday April 15, 2009

Time: 1:30 pm

Location: M-40, Montreal Road


NMR seminar : University of Ottawa

Friday November 7, 11:30 am

University of Ottawa (D’Iorio Hall, room 214)

Prof. Gang Wu (Queen's University) will present an NMR seminar. More details to follow.

web: http://www.chem.queensu.ca/people/faculty/Wu/index.htm


SIMS Theory group seminar

100 Sussex, Room 2017, 13:30, Thursday, July 10th, 2008

Jochen Autschbach, University at Buffalo, State University of New York, 312 NSC, Buffalo, NY 14260-3000, USA (external link)

"Analzying shielding and spin-spin coupling tensors"

------------------------------------------------------------
Dr. Autschbach will be visiting theory group on July 9-11. If you would like to arrange a meeting, please contact Serguei.Patchkovskii@nrc.ca
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Abstract

Ab-initio computations are becoming increasingly important to support experimental efforts to determine NMR shielding and spin-spin coupling tensors for elements from all across the periodic table. Usually, computations just yield the result, and it is up to the program's user to analyze why the tensor components have that particular sign and magnitude predicted by the computation. We have recently developed intuitive and easy-to-apply analysis tools that allow to decompose shielding and J-coupling tensors that were computed within a general spin-orbit relativistic theoretical framework into contributions from localized orbitals. These orbitals yield the contributions from bond, lone pairs, and core orbitals, to the computed property tensor. In particular, it is possible to analyze the results in terms of the popular "natural" bond orbitals (NBOs) and their associated localized MOs. Examples that will be discussed during the talk are Pt chemical shifts and in particular the influence of Pt lone pairs on the shifts, and J-coupling constants in small molecules and in a Pt-Tl bonded complex. A related analysis for EFG tensors has also been developed. We will discuss computations and analyses for Al EFG tensors.


NMR Seminar

M-40, Wednesday, June 18, 2008, 1:30 pm

Eric Ye, Department of Chemistry, McMaster University (external link)

"Studies of Proton Conductors Based on Nafion and Sulfonated Polyether Ether Ketone ( S-PEEK ) Using High-resolution Solid State NMR"


NMR Seminar

M-40, Wednesday, June 11, 2008, 1:30 pm

Luke O'Dell, Department of Chemistry and Biochemistry, University of Windsor (external link)

"New Methods for Faster Ultra-Wideline NMR"


Third Annual Solid-State NMR Workshop

Saturday, May 24, 2008
Shaw Conference Centre, Salon 3

Edmonton, Alberta


Workshop Program and Abstracts (download a PDF file)

Session 1, Chair Chris Ratcliffe (NRC SIMS)

13:00
Welcome
, Victor Terskikh (the 900 Facility)

13:10 André Charbonneau (NRC IMSB) "SpectroGrid: Simple Remote Instrumentation Using Open Source Technologies"

13:30
Robert Schurko (University of Windsor)
"A Survey of Methods in Ultra-Wideline Solid-State NMR Spectroscopy"

14:00 Rebecca Chapman (University of Ottawa) "Application of Chlorine-35/37 Solid-State NMR and GIPAW Calculations to the study of the Chemical Shift and Electric Field Gradient Tensors in Group 13 Chlorides"

14:30 Kris Ooms (University of Delaware) "Vanadium-51 solid-state NMR spectroscopy of biologically important complexes and proteins"

15:00 Coffee Break

Session 2, Chair
David Bryce (University of Ottawa)

15:15 Jochem Struppe (Bruker BioSpin) "Adventures at high speed MAS"

15:45 Darren Brouwer (NRC SIMS) "Solid-State Proton NMR at 900 MHz"

16:15 Jean-Paul Amoureux (Université des Sciences et Technologies de Lille) "New solid-state NMR methods to observe high-resolution proton spectra at fast and ultra-fast MAS"

17:00 Reception (Salon 4) sponsored by Bruker Canada


Workshop: Quantum Chemical Computations in NMR

Date: Tuesday, December 18, 2007
Time: 13:00 - 16:30
Ottawa: 1200 Montreal road, M-40

Workshop program :

13:00-13:15 Welcome

13:15-14:15 Keynote lecture, Tom Woo (University of Ottawa) "A Practical Introduction to Solid State DFT Calculations with Periodic Boundary Conditions and Plane Wave Basis Sets" (outline)

14:15-14:35 Igor Moudrakovski (NRC-SIMS) "NMR parameters in small inorganics with CASTEP: first impressions"

14:35-14:55 David Bryce (University of Ottawa) "Comparison of experimental Ca-43 and Cl-35/37 quadrupolar and chemical shift tensors with those obtained from CASTEP"

15:00-15:15 Coffee Break

15:15-15:40
Darren Brouwer (NRC-SIMS) "Refinement of crystal structures using ab initio calculations of NMR parameters"

15:40-16:05 Saman Alavi (University of Ottawa) "Computation of NMR lineshape anisotropies of guest molecules in inclusion compounds: CO2 in large structure I clathrate cages"

16:05-16:30 Closing discussion, coffee, tour of the NMR Facilities at M-40

Scope :

Quantum Chemical Calculations are becoming increasingly important in (solid-state) NMR research. It is now very common to see in research publications experimental NMR results supported by calculations. This is also being promoted by broader availability of quantum chemical computational software, which is also getting more user-friendly. And the computing power in most cases is no longer an issue.

There are several research groups currently using quantum chemical calculations in their NMR research, both at the University of Ottawa and at the National Research Council Canada. The idea behind this workshop is to get together in informal setting to discuss latest developments in this field, to exchange ideas and expertise, and to build closer collaboration contacts to mutual benefits of everybody involved. Of course everyone is welcome to attend, including students, non-NMR researchers, and folks from outside of NRC and UofO. The workshop will be hosted by the National Ultrahigh-Field NMR Facility for Solids and will be free of charge for participants.

If successful, this workshop may become a semi-annual gathering, with a possibility of bringing invited speakers and software developers as requested by participants.

If you have any questions or suggestions you may contact David Bryce (University of Ottawa) or Igor Moudrakovski (NRC-SIMS), who is organizing this workshop on behalf of the corresponding institutions.

Keynote lecture, Tom Woo (University of Ottawa, external link)

"A Practical Introduction to Solid State DFT Calculations with Periodic Boundary Conditions and Plane Wave Basis Sets"

Abstract: Performing molecular DFT calculations with Gaussian basis sets is now common place. However, solid state DFT calculations of periodic systems are often performed with very different technologies. For example, so-called plane wave basis sets or similar are often used. The current state-of-the art solid state NMR calculations with the CASTEP or CPMD packages use these technologies. In this tutorial, an introduction to solid state DFT calculations will be given. No back ground in solid state physics will be assumed, and there will be an emphasis on the practical aspects of performing such calculations.


NMR Seminar

M-40, Monday, October 22, 2:00pm

Yong Ba, Department of Chemistry and Biochemistry, California State University Los Angeles (external link)

"Electron spin induced F-19 relaxation NMR and the modeling of drug loaded Rf-PEG micelle"