David L. Bryce
Publications


[ press & media ]     [ cover gallery ]
               
149.
C. Leroy, J. K. Schuster, T. Schaefer, K. Müller-Buschbaum, H. Braunschweig, and D. L. Bryce
Linear Dicoordinate Beryllium: A 9Be Solid-State NMR Study of a Discrete Zero-Valent s-Block Beryllium Complex
Submitted for publication (2017).
148.
P. M. J. Szell and D. L. Bryce
Solid-State Nuclear Magnetic Resonance and Nuclear Quadrupole Resonance as Complementary Tools to Study Quadrupolar Nuclei in Solids
Concepts Magn. Reson. (2017), submitted for publication.

NMRNQR
147.
K. M. N. Burgess, C. M. Widdifield, Y. Xu, C. Leroy, and D. L. Bryce
Structural Insights from 59Co Solid-State NMR Experiments on Organocobalt(I) Catalysts
ChemPhysChem, in press (2017).

cobalt NMR
146.
Y. T. A. Wong and D. L. Bryce
Recent Advances in 11B Solid-State Nuclear Magnetic Resonance Spectroscopy of Crystalline Solids
Annu. Rep. Nucl. Magn. Reson. Spectrosc., in press (2017).
145.
C. B. Aakeroy, S. Alavi, N. K. Beyeh, L. Brammer, M. Branca, D. L. Bryce, et al.
Solid-State Chemistry and Applications: General Discussion
Faraday Discuss., 203, 459-483 (2017). PDF. (Discussion)
144.
C. B. Aakeroy, P. D. Beer, N. K. Beyeh, L. Brammer, M. Branca, D. L. Bryce, et al.
The Halogen Bond in Solution: General Discussion
Faraday Discuss., 203, 347-370 (2017). PDF. (Discussion)
143.
C. B. Aakeroy, S. Alavi, P. D. Beer, N. K. Beyeh, L. Brammer, D. L. Bryce, et al.
Beyond the Halogen Bond: General Discussion
Faraday Discuss., 203, 227-244 (2017). PDF. (Discussion)
142.
C. B. Aakeroy, S. Alavi, L. Brammer, D. L. Bryce, et al.
Computational Approaches and Sigma-Hole Interactions: General Discussion
Faraday Discuss., 203, 131-163 (2017). PDF. (Discussion)
141.
Y. Xu, L. Champion, B. Gabidullin, and D. L. Bryce
A Kinetic Study of Mechanochemical Halogen Bond Formation by In-situ 31P Solid-State NMR Spectroscopy
Chem Commun., 53, 9930-9933
(2017). PDF.

in situ NMR
140.
P. Werhun and D. L. Bryce
Structural and Crystallographic Information from 61Ni Solid-State NMR Spectroscopy: Diamagnetic Nickel Compounds
Inorg. Chem., 56, 9996-10006 (2017). PDF.

nickel NMR
139.
Y. T. A. Wong, J. Landmann, M. Finze, and D. L. Bryce
Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy
J. Am. Chem. Soc., 139, 8200-8211 (2017). PDF.

dynamics
138.
D. L. Bryce
NMR Crystallography. Structure and Properties of Materials from Solid-State Nuclear Magnetic Resonance Observables
IUCrJ, 4, 350-359 (2017). PDF. Invited contribution.
137.
F. A. Perras, D. Marion, J. Boisbouvier, D. L. Bryce, and M. J. Plevin
Observation of CH...π Interactions Between Methyl and Carbonyl Groups in Proteins
Angew. Chem. Int. Ed., 56, 7564-7567 (2017). PDF.
Angew. Chem., 129, 7672-7675 (2017). PDF.
Highlighted on blogs.sciencemag.org.

protein nmr
136.
S. A. Southern, D. Errulat, J. M. Frost, B. Gabidullin, and D. L. Bryce
Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds
Faraday Discuss., 203, 165-186 (2017). PDF.

lead tetrel bond
135.
P. M. J. Szell, B. Gabidullin, and D. L. Bryce
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: Halogen-Bonded Frameworks and NMR Spectroscopic Analysis
Acta Cryst. B,  73, 153-164 (2017). PDF. Invited contribution.
       Scientific commentary on this article.

iodo
134.
D. L. Bryce and F. Taulelle
NMR Crystallography (editorial)
Acta Cryst. C, 73, 126-127 (2017). PDF.
133.
L. Kobera, S. A. Southern, J. M. Frost, and D. L. Bryce
Multinuclear Solid-State Magnetic Resonance Study of Oxo-Bridged Diniobium and Quadruply-Bonded Dimolybdenum Carboxylate Clusters
Solid State Nucl. Magn. Reson., 84, 20-27 (2017). PDF. Invited contribution.

quadruple bond
132.
P. M. J. Szell, S. A. Gabriel, R. D. D. Gill, S. Y. H. Wan, B. Gabidullin, and D. L. Bryce
13C and 19F Solid-State NMR and X-Ray Crystallographic Study of Halogen-Bonded Frameworks Featuring Nitrogen-Containing Heterocycles
Acta Cryst. C, 73, 157-167 (2017). PDF. Invited contribution.

halogen bonds and 19F NMR
131.
A. Deshkar, J. Marcial, S. A. Southern, L. Kobera, D. L. Bryce, J. McCloy, and A. Goel
Understanding the Structural Origin of Crystalline Phase Transformations in Nepheline Based Glass-Ceramics
J. Am. Ceram. Soc., 100, 2859-2878 (2017). PDF.
130.
J. M. Frost, L. Kobera, A. Pialat, Y. Zhang, S. A. Southern, B. Gabidullin, D. L. Bryce, and M. Murugesu
From Discrete Molecule, to Polymer, to MOF: Mapping the Coordination Chemistry of CdII Using 113Cd Solid-State NMR
Chem. Commun., 52, 10680-10683 (2016). PDF.
129.
P. M. J. Szell and D. L. Bryce
Solid-State NMR Studies of Halogen Bonding
Modern Magnetic Resonance, pp 1-18 (2016), G. A. Webb, Ed.  Invited contribution. PDF.
128.
Y. Xu, S. A. Southern, P. M. J. Szell, and D. L. Bryce
The Role of Solid-State Nuclear Magnetic Resonance in Crystal Engineering
CrystEngComm, 18, 5236-5252 (2016). PDF. Invited contribution.

crystal engineering NMR
127.
P. M. J. Szell and D. L. Bryce
35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles
J. Phys. Chem. C, 120, 11121-11130 (2016). PDF.

chlorine halogen bond
126.
L. Kobera, S. A. Southern, G. Kumar Rao, D. S. Richeson, and D. L. Bryce
New Experimental Insight into the Nature of Metal-Metal Bonds in Digallium Compounds: J Coupling Between Quadrupolar Nuclei
Chem. Eur. J., 22, 9565-9573 (2016). PDF. Cover article. 'Hot Paper'

gallium
125.
R. J. Holmberg, T. Burns, S. M. Greer, L. Kobera, S. A. Stoian, I. Korobkov, S. Hill, D. L. Bryce, T. K. Woo, and M. Murugesu
Intercalation of Coordinatively Unsaturated Fe(III) Ion within Interpenetrated MOF-5
Chem. Eur. J., 22, 7711-7715 (2016). PDF.
124.
J. A. M. Lummiss, F. A. Perras, R. McDonald, D. L. Bryce, and D. E. Fogg
Sterically-Driven Olefin Metathesis: The Impact of Alkylidene Substitution on Catalyst Activity
Organometallics, 35, 691-698 (2016). PDF.
123.
S. Nour, C. M. Widdifield, L. Kobera, K. M. N. Burgess, D. Errulat, V. V. Terskikh, and D. L. Bryce
Oxygen-17 NMR Spectroscopy of Water Molecules in Solid Hydrates
Can. J. Chem., 94, 189-197 (2016). PDF.

water NMR
122.
Y. Xu, J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Mechanochemical Production of Halogen-Bonded Solids Featuring P=O...I-C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory
J. Phys. Chem. C, 119, 27104-27117 (2015). PDF.

halogen bond
121.
A. E. Alain, Y. Shoji, T. Fukushima, and D. L. Bryce
11B Solid-State NMR Interaction Tensors of Linear Two-Coordinate Boron: The Dimesitylborinium Cation
Inorg. Chem., 54, 11889-11896 (2015). PDF.

borinium
120.
S. A. Southern and D. L. Bryce
NMR Investigations of Non-Covalent Carbon Tetrel Bonds. Computational Assessment and Initial Experimental Observation
J. Phys. Chem. A, 119, 11891-11899 (2015). PDF.

tetrel bond nmr
119.
N. Kanwal, H. Toms, A. C. Hannon, F. A. Perras, D. L. Bryce, N.Karpukhina, and I. Abrahams
Structure and Solubility Behaviour of Zinc Containing Phosphate Glasses
J. Mater. Chem. B, 3, 8842-8855 (2015). PDF.
118.
D. Brouwer, D. L. Bryce, and Y. Huang
Tribute to John Ripmeester
Can. J. Chem., 93, v-vi (2015). PDF.
117.
D. A. Safin, P. M. J. Szell, A. Keller, I. Korobkov, D. L. Bryce, and M. Murugesu
Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2 (X = Cl, Br) in water: Trapping of new self-assembled water-chloride/bromide clusters in a [Co(bpca)2]+ host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)
New J. Chem., 39, 7147-7152 (2015). PDF.

njc
116.
F. A. Perras, W. C. Ewing, T. Dellermann, J. Böhnke, S. Ullrich, T. Schäfer, H. Braunschweig, and D. L. Bryce
Spying on the Boron-Boron Triple Bond Using Spin-Spin Coupling Measured from 11B Solid-State NMR Spectroscopy
Chem. Sci. 6, 3378-3382 (2015). PDF.

boron triple bond
115.
J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Crystal Structure of Tetrabutylammonium Bromide 1,2,-Diiodo-3,4,5,6-tetrafluorobenzene Dichloromethane Solvate
Acta Cryst. E, 71, o286-o287 (2015). PDF.

halogen bond
114.
J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Crystal Structure of Tetraethylammonium Chloride 3,4,5,6-Tetrafluoro-1,2-diiodobenzene
Acta Cryst. E, 71, o319-320 (2015). PDF.

halogen bond crystal structure
113.
C. P. Romao, F. A. Perras, U. Werner-Zwanziger, J. A. Lussier, K. J. Miller, C. M. Calahoo, J. W. Zwanziger, M. Bieringer, B. A. Marinkovic, D. L. Bryce, and M. A. White
Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties
Chem. Mater. 27, 2633-2646 (2015). PDF.

zero thermal expansion
112.
C. M. Widdifield, F. A. Perras, and D. 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
Phys. Chem. Chem. Phys. 17, 10118-10134 (2015). PDF.

rhenium NMR
111.
D. L. Bryce
Solid-State NMR at the University of Ottawa. (Canadian Society for Chemistry Keith Laidler Award Lecture)

Can. J. Chem. 93, 485-491 (2015). PDF. Invited contribution.

Laidler award
110.
K. M. N. Burgess, F. A. Perras, I. L. Moudrakovski, Y. Xu, and D. L. Bryce
High Sensitivity and Resolution in 43Ca Solid-State NMR Experiments
Can. J. Chem. 93, 799-807 (2015). PDF. Invited contribution.

calcium nmr
109.
F. A. Perras and D. L. Bryce
Revisiting the Concept of Equivalence in Solid-State NMR
eMagRes 4, 561-574 (2015). PDF. Invited contribution.
108.
F. A. Perras and D. L. Bryce
Direct Characterization of Metal-Metal Bonds Between Nuclei with Strong Quadrupolar Interactions via NMR Spectroscopy
J. Phys. Chem. Lett., 5, 4049-4054 (2014). PDF.

metal-metal bonding
107.
R. M. Silverstein, F. X. Webster, D. J. Kiemle, and D. L Bryce
Spectrometric Identification of Organic Compounds, 8th Edition, Wiley, Hoboken NJ (2015). (Book)

Silverstein 8th edition
106.
P. M. J. Szell and D. L. Bryce
Recent Advances in Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy
Annu. Rep. Nucl. Magn. Reson. Spectrosc. 84, 115-162 (2015). PDF. Invited contribution.
105.
K. M. N. Burgess and D. L. Bryce
On the Crystal Structure of the Vaterite Polymorph of CaCO3. A Calcium-43 Solid-State NMR and Computational Assessment
Solid State Nucl. Magn. Reson. 65, 75-83 (2015). PDF. Invited contribution.

vaterite NMR
104.
D. Safin, R. J. Holmberg, K. M. N. Burgess, K. Robeyns, D. L. Bryce, and M. Murugesu
Novel Hybrid Material Constructed from Hg(NCS)2 and 2,4,6-Tris(2-Pyrimidyl)-1,3,5-Triazine (TPymT): First Example of Coordination of TPymT in a 2,2'-Bipyridine-like Mode  
Eur. J. Inorg. Chem. 441-446 (2015). PDF.
103.
C. M. Widdifield, I. Moudrakovski, and D. L. Bryce
Calcium-43 Chemical Shift and Electric Field Gradient Tensor Interplay: A Sensitive Probe of Structure, Polymorphism, and Hydration
Phys. Chem. Chem. Phys., 16, 13340-13359 (2014). PDF.

calcium solid state nmr
102.
F. A. Perras and D. L. Bryce
Boron-Boron J Coupling Constants are Unique Probes of Electronic Structure: A Solid-State NMR and Molecular Orbital Study
Chem. Sci., 5, 2428-2437 (2014). PDF.

boron J coupling
101.
J. Viger-Gravel, J. Meyer, I. Korobkov, and D. L. Bryce
Probing Halogen Bonds with Solid-State NMR Spectroscopy. Observation and Interpretation of J(77Se,31P) Coupling in Halogen-Bonded P=Se...I Motifs
CrystEngComm, 16, 7285-7297 (2014). PDF. Invited contribution.

J coupling halogen bonds
100.
J. Viger-Gravel, S. Leclerc, I. Korobkov, and D. L. Bryce
Direct Investigation of Halogen Bonds by Solid-State Multinuclear Magnetic Resonance Spectroscopy and Molecular Orbital Analysis
J. Am. Chem. Soc., 136, 6929-6942 (2014). PDF.

NLMO halogen bonds
99.
D. L. Bryce and J. Viger-Gravel
Solid-State NMR Study of Halogen-Bonded Adducts
Top. Curr. Chem., 358, 183-204 (2015). PDF. Invited contribution for the volume on "Halogen Bonding: Impact on Materials Chemistry and Life Sciences" (Springer).

Halogen Bonding and NMR
98.
D. Safin, K. M. N. Burgess, I. Korobkov, D. L. Bryce, and M. Murugesu
Renaissance of the Coordination Chemistry of 2-4-6(tris(2-pyrimidyl)-1,3,5(triazine) (TPymT).  Part II: New Insights into the Reaction of TPymT with Pb(NO3)2
CrystEngComm, 16, 3466-3469 (2014). PDF.

Pb-207 NMR
97.
F. A. Perras and D. L. Bryce
Theoretical Study of Homonuclear J Coupling Between Quadrupolar Spins: Single-Crystal, DOR, and J-Resolved NMR
J. Magn. Reson, 242, 23-32 (2014). PDF.

J resolved NMR
96.
K. M. N. Burgess, Y. Xu, M. C. Leclerc, and D. L. Bryce
Alkaline-Earth Metal Carboxylates Characterized by 43Ca and 87Sr Solid-State NMR: Impact of Metal-Amine Bonding
Inorg. Chem., 53, 552-561 (2014). PDF.

calcium and strontium NMR
95.
N. M. Dicaire, F. A. Perras, and D. L. Bryce
23Na Magic-Angle Spinning and Double-Rotation NMR Study of Solid Forms of Sodium Valproate
Can. J. Chem., 92, 9-15 (2014). PDF.

sodium valproate
94.
D. A. Safin, Y. Xu, I. Korobkov, D. L. Bryce, and M. Murugesu
Renaissance of the Coordination Chemistry of 2-4-6(tris(2-pyrimidyl)-1,3,5(triazine) (TPymT).  Part 1: First Crystal Structure of the TPymT Complex with a d-Metal Cation
CrystEngComm, 15, 10419-10422 (2013). PDF.

cadmium NMR
93.
F. A. Perras and D. L. Bryce
Symmetry-Amplified J Splittings for Quadrupolar Spin Pairs: A Solid-State NMR Probe of Homoatomic Covalent Bonds
J. Am. Chem. Soc., 135, 12596-12599 (2013). PDF.

magnetic equivalence
92.
K. M. N. Burgess, Y. Xu, M. C. Leclerc, and D. L. Bryce
Insight into Magnesium Coordination Environments in Benzoate and Salicylate Complexes through 25Mg Solid-State NMR Spectroscopy
J. Phys. Chem. A, 117, 6561-6570 (2013). PDF.

magnesium NMR
91.
F. A. Perras, I. Korobkov, and D. L. Bryce
NMR Crystallography of Sodium Diphosphates: Combining Dipolar, Shielding Quadrupolar, Diffraction, and Computational Information
CrystEngComm, 15, 8727-8738 (2013). PDF.  Invited contribution.

NMR crystallograhy of sodium phosphates
90.
C. M. Widdifield, G. Cavallo, G. A. Facey, T. Pilati, J. Lin, P. Metrangolo, G. Resnati, and D. L. Bryce
Multinuclear Solid-State Magnetic Resonance as a Sensitive Probe of Structural Changes upon the Occurrence of Halogen Bonding in Co-Crystals
Chem. Eur. J., 19, 11949-11962 (2013). PDF.

halogen bonds and NMR
89.
F. A. Perras and D. L. Bryce
Measuring Dipolar and J Coupling Between Quadrupolar Nuclei Using Double-Rotation NMR
J. Chem. Phys., 138, 174202 (2013). PDF.

Press: Canadian Chemical News

J coupling between magnetically equivalent spins
88.
J. Viger-Gravel, S. Leclerc, I. Korobkov, and D. L. Bryce
Correlation Between 13C Chemical Shifts and the Halogen Bonding Environment in a Series of Solid para-Diiodotetrafluorobenzene Complexes
CrystEngComm, 15, 3168-3177 (2013). PDF.  Invited contribution.

Halogen Bond
87.
F. A. Perras, J. Viger-Gravel, K. M. N. Burgess, and D. L. Bryce
Signal Enhancement in Solid-State NMR of Quadrupolar Nuclei
Solid State Nucl. Magn. Reson., 51-52, 1-15 (2013). PDF. Invited contribution.

trends DNP CP QCPMG
86.
F. A. Perras and D. L. Bryce
Multinuclear Magnetic Resonance Crystallographic Structure Refinement and Cross-Validation Using Experimental and Computed Electric Field Gradients: Application to Na2Al2B2O7
J. Phys. Chem. C, 116, 19472-19482 (2012). PDF.


structure refinement
85.
F. A. Perras, C. M. Widdifield, and D. L. Bryce
QUEST - Quadrupolar Exact Software: a Fast Graphical Program for the Exact Simulation of NMR and NQR Spectra for Quadrupolar Nuclei
Solid State Nucl. Magn. Reson., vol. 45-46, 36-44 (2012). PDF.

QUEST

Download QUEST software here
84.
K. M. N. Burgess, F. A. Perras, A. Lebrun, E. Messner-Henning, I. Korobkov, and D. L. Bryce
Sodium-23 Solid-State Nuclear Magnetic Resonance of Commercial Sodium Naproxen and its Solvates
J. Pharm. Sci., 101, 2930-2940 (2012). PDF.

sodium naproxen
83.
F. A. Perras and D. 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, 4227-4230 (2012). PDF.
Angew. Chem, 124, 4303-4306 (2012). PDF.

covalent chlorine Angew Chemie 2012
82.
D. L. Bryce
Halogen Bonding
Chem. Int., 34, 27-29 (2012). Invited contribution.
81.
M. Jeletic, F. A. Perras, S. I. Gorelsky, J. J. Le Roy, I. Korobkov, D. L. Bryce, and M. Murugesu
First Structural Evidence for Multiple Alkali Metals between Sandwich Decks in a Metallocene
Dalton Trans., 41, 8060-8066 (2012).  PDF.

metallocenes NMR
80.
S.-W. Oh, J. W. E. Weiss, P. A. Kerneghan, I. Korobkov, K. E. Maly, and D. L. Bryce
Solid-State 11B and 13C NMR, IR, and X-ray Crystallographic Characterization of Selected Arylboronic Acids and Their Catechol Cyclic Esters
Magn. Reson. Chem., 50, 388-401 (2012). PDF.

boron boronic acids

79.
R. J. Attrell, C. M. Widdifield, I. Korobkov, and D. L. Bryce
Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy
Cryst. Growth Des., 12, 1641-1653 (2012). PDF.  Invited contribution.

halogen bonding NMR
78.
C. J. Capicciotti, M. Leclere, F. A. Perras, D. L. Bryce, H. Paulin, J. Harden, and R. N. Ben
Potent Inhibition of Ice Recrystallization by Low Molecular Weight Carbohydrate-based Surfactants and Hydrogelators
Chem. Sci. 3, 1408-1416 (2012). PDF. Cover article.

chemical science         Chemical Science
77.
F. A. Perras, I. Korobkov, and D. L. Bryce
23Na Double-Rotation NMR of Sodium Nucleotides Leads to the Discovery of a New dCMP Hendecahydrate
Phys. Chem. Chem. Phys., 14, 4677-4681 (2012). PDF.

DOr NMR nucleotides
76.
C. M. Widdifield, T. Jurca, D. S. Richeson, and D. L. Bryce
Using 69/71Ga Solid-State NMR and 127I NQR as Probes to Elucidate the Composition of "GaI"
Polyhedron, 35, 96-100 (2012). PDF.

gallium iodide
75.
K. M. N. Burgess, I. Korobkov, and D. L. Bryce
A Combined Solid-State NMR and X-ray Crystallography Study of the Bromide Anion Environments in Triphenylphosphonium Bromides
Chem. Eur. J., 18, 5748-5758 (2012). PDF.

bromine NMR
74.
D. L. Bryce and R. E. Wasylishen
Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra
a) Chapter 4 in 'NMR of Quadrupolar Nuclei in Solid Materials'; R. E. Wasylishen, S. E. Ashbrook, and S. Wimperis, Eds.; John Wiley and Sons Ltd., Chichester, UK, (2012). Invited contribution.
b) In 'Encyclopedia of Magnetic Resonance'; R. K. Harris and R. E. Wasylishen, Eds.; Wiley (2011). PDF. Invited contribution.

Quadrupolar nuclei
73.
J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding
Cryst. Growth Des., 11, 4984-4995 (2011). PDF Invited contribution.

halogen bonding NMR
72.
F. A. Perras and D. L. Bryce
Residual Dipolar Coupling Between Quadrupolar Nuclei Under Magic-Angle Spinning and Double-Rotation Conditions
J. Magn. Reson., 213, 82-89 (2011). PDF.

DOR NMR
71.
D. L. Bryce, G. Wu, and Y. Huang
Tribute: Professor Roderick E. Wasylishen / Un hommage à Roderick E. Wasylishen
Can. J. Chem., 89, xi-xvi (2011). PDF
70.
C. M. Widdifield, A. D. Bain, and D. 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
Phys. Chem. Chem. Phys., 13, 12413-12420 (2011). PDF. Cover article.

rhenium NMR
          pccp cover rhenium nmr   
69.
F. A. Perras and D. L. Bryce
Removal of Sidebands in Double-Rotation NMR in Real Time
J. Magn. Reson., 211, 234-239 (2011). PDF.

DOR NMR
68.
P. A. Kernaghan, S. D. Halperin, D. L. Bryce, and K. E. Maly
Postsynthetic Modification of an Imine-Based Microporous Organic Network
Can. J. Chem., 89, 577-582, (2011). PDF.
microporous

67.
D. L. Bryce, C. M. Widdifield, R. P. Chapman, and R. J. Attrell
Chlorine, Bromine, and Iodine Solid-State NMR
a) Chapter 19 in 'NMR of Quadrupolar Nuclei in Solid Materials'; R. E. Wasylishen, S. E. Ashbrook, and S. Wimperis, Eds.; John Wiley and Sons Ltd., Chichester, UK, (2012), pp 321-348. PDF.
b) In 'Encyclopedia of Magnetic Resonance'; R. K. Harris and R. E. Wasylishen, Eds.; Wiley  (2011). PDF. Invited contribution.

Quadrupolar nuclei
66.
C. M. Widdifield and D. L. Bryce
A Multinuclear Solid-State Magnetic Resonance and GIPAW DFT Study of Anhydrous Calcium Chloride and its Hydrates
Can. J. Chem., 89, 754-763 (2011). PDFSpecial issue; invited contribution.

calcium
65.
R. P. Chapman, J. R. Hiscock, P. A. Gale, and D. L. Bryce
A Solid-State 35/37Cl NMR Study of a Chloride Ion Receptor and GIPAW-DFT Study of Chlorine NMR Interaction Tensors in Organic Hydrochlorides
Can. J. Chem., 89, 822-834 (2011). PDF. Special issue; invited contribution.

calix receptor
64.
F. A. Perras and D. L  Bryce
A ZORA-DFT and NLMO Study of the One-Bond Fluorine-X Indirect Nuclear Spin-Spin Coupling Tensors for Various VSEPR Geometries
Can. J. Chem., 89, 789-802 (2011). PDF. Special issue; invited contribution.

J coupling

63.
A. Y. H. Lo, T. Jurca, D. S. Richeson, and D. L. Bryce
Multinuclear Solid-State Magnetic Resonance Study of In+ and Ag+ in Neutral Weakly Coordinating Environments
J. Phys. Chem. Lett., 1, 3078-3084 (2010)PDF.

indium NMR
62.
C. M. Widdifield and D. L. Bryce
Solid-State 127I NMR and GIPAW DFT Study of Metal Iodides and their Hydrates: Structure, Symmetry, and Higher-Order Quadrupole-Induced Effects
J. Phys. Chem. A, 114, 10810-10823 (2010)PDF.

iodine solid-state nmr

61.
D. L. Bryce
Calcium Binding Environments Probed by 43Ca NMR Spectroscopy
Dalton Trans., 39, 8593-8602 (2010)PDFCover article Invited contribution.

Press: SpectroscopyNow

calcium solid-state nmr
60.
D. L. Bryce
A Computational Investigation of J Couplings Involving 27Al, 17O, and 31P
Magn. Reson. Chem., 48, S69-S75 (2010). PDFSpecial issue; invited contribution.

J coupling aluminum oxygen phosphorus
59.
J. W. E. Weiss and D. 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
J. Phys. Chem. A, 114, 5119-5131 (2010). PDF.

boronic acids esters boron NMR

58.
M. J. Plevin, D. L. Bryce, and J. Boisbouvier
Direct Detection of CH/pi Interactions in Proteins
Nature Chem. 2, 466-471 (2010). PDF.

Press: CNRS, France; Nature Chemistry highlight; Faculty of 1000 "Exceptional" rating; uOttawa news release; bulletin electronique; Radio-Canada interview

Nature Chemistry

57.
P. D. Frischmann, G. A. Facey, P. Ghi, A. J. Gallant, D. L. Bryce, F. Lelj, and M. J. MacLachlan
Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules
J. Am. Chem. Soc., 132, 3893-3908 (2010). PDF.

cadmium deuterium
56.
C. M. Widdifield and D. 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
J. Phys. Chem. A, 114, 2102-2116 (2010). PDF.

bromine solid-state nmr
55.
T. Pathmalingam, F. Habib, C. M. Widdifield, F. Loiseau, T. J. Burchell, S. I. Gorelsky, A. M. Beauchemin, D. L. Bryce, and M. Murugesu
Combining Oximes with Azides to Create a Novel 1D Chain [NaCoIII2] System: Synthesis, Structure, and Solid-State NMR
Dalton Trans., 39, 1504-1510 (2010). PDF.

cobalt solid-state nmr
54.
D. L. Bryce, N. M. Dorval Courchesne, and F. A. Perras
Measurement of Δ1J(199Hg,31P) in [HgPCy3(OAc)2]2 and Relativistic ZORA DFT Investigations of Mercury-Phosphorus Coupling Tensors
Solid State Nucl. Magn. Reson., 36, 182-191 (2009). PDF.

mercury phosphorus delta J
53.
D. L. Bryce
Tensor Interplay
In 'NMR Crystallography'; R. K. Harris, R. E. Wasylishen, and M. J. Duer, Eds.; John Wiley and Sons Ltd., Chichester, UK, pp 289-301 (2009). PDFInvited contribution.

NMR Crystallography
52.
C. M. Widdifield and D. L. Bryce
Crystallographic Structure Refinement with Quadrupolar Nuclei: a Combined Solid-State NMR and GIPAW DFT Example Using MgBr2
Phys. Chem. Chem. Phys., 11, 7120-7122 (2009). PDFHighlighted by PCCP as a top-cited paper.

bromine NMR
51.
R. P. Chapman and D. L. Bryce
Application of Multinuclear Magnetic Resonance and Gauge-Including Projector-Augmented Wave Calculations to the Study of Solid Group 13 Chlorides
Phys. Chem. Chem. Phys., 11, 6987-6998 (2009). PDFSpecial issue; invited contribution.

chlorine NMR
50.
R. P. Chapman, C. M. Widdifield, and D. L. Bryce
Solid-State NMR of  Quadrupolar Halogen Nuclei
Prog. Nucl. Magn. Reson. Spectrosc., 55, 215-237 (2009). PDF. Invited contribution.
49.
K. J. Harris, D. L. Bryce, and R. E. Wasylishen
NMR Line Shapes from AB Spin Systems in Solids: The Role of Antisymmetric Spin-Spin Coupling
Can. J. Chem., 87, 1338-1351 (2009). PDF. Special issue; invited contribution.
48.
D. L. Bryce and J. Autschbach
Relativistic Hybrid Density Functional Calculations of Indirect Nuclear Spin-Spin Coupling Tensors. Comparison with Experiment for Diatomic Alkali Metal Halides.
Can. J. Chem., 87, 927-941 (2009)PDF.  Special issue; invited contribution.

alkali halides
 
47.
C. M. Widdifield, R. P. Chapman, and D. L. Bryce
Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy
Annu. Rep. Nucl. Magn. Reson. Spectrosc., 66, 195-326 (2009). PDF. Invited contribution.
46.
D. L. Bryce
Tensor Interplay
In 'Encyclopedia of Magnetic Resonance'; R. K. Harris and R. E. Wasylishen, Eds.; Wiley (2008). PDF. Invited contribution.
45.
D. L. Bryce, E. B. Bultz, and D. 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.
J. Am. Chem. Soc., 130, 9282-9292 (2008). PDF.

Press: SpectroscopyNow

calcium nmr
44.
H. Van Melckebeke, M. Devany, C. Di Primo, F. Beaurain, J.-J. Toulme, D. L. Bryce, and J. Boisbouvier
Liquid Crystal NMR Structure of HIV TAR RNA Bound to its SELEX RNA Aptamer Reveals the Origins of the High Stability of the Complex
Proc. Natl. Acad. Sci. USA, 105, 9210-9215 (2008). PDF.

Press: Biotech Info; HPCVL; CEA Press release

TAR HIV RNA
43.

P. Crewdson, D. L. Bryce, F. Rominger, and P. Hofmann
Application of Ultrahigh-Field 59Co Solid-State NMR Spectroscopy in the Investigation of the 1,2-Polybutadiene Catalyst [Co(C8H13)(C4H6)]
Angew. Chem. Int. Ed., 47, 3454-3457 (2008). PDF.
Angew. Chem., 120, 3503-3507 (2008). PDF.


cobalt solid-state NMR
42.
G. D. Batema, M. Lutz, A. L. Spek, C. A. van Walree, C. de Mello Donega, A. Meijerink, R. W. A. Havenith, J. Perez-Moreno, K. Clays, M. Buchel, A. van Dijken, D. L. Bryce, G. P. M. van Klink, and G. van Koten
Substituted 4,4'-Stilbenoid NCN-Pincer Platinum(II) Complexes.  Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED
Organometallics, 27, 1690-1701 (2008). PDF.
41.

R. P. Chapman and D. L. Bryce
A High-Field Solid-State 35/37Cl NMR and Quantum Chemical Investigation of the Chlorine Quadrupolar and Chemical Shift Tensors in Amino Acid Hydrochlorides
Phys. Chem. Chem. Phys., 9, 6219-6230 (2007). PDF.

PCCP
40.

P. K. Lee, R. P. Chapman, L. Zhang, J. Hu, L. J. Barbour, E. K. Elliott, G. W. Gokel, and D. L. Bryce
K-39 Quadrupolar and Chemical Shift Tensors for Organic Potassium Complexes and Diatomic Molecules
J. Phys. Chem. A, 111, 12859-12863 (2007)PDF.

JPCA
39.

S. Adiga, D. Aebi, and D. L. Bryce
EFGShield: A Program for Parsing and Summarizing the Results of Electric Field Gradient and Nuclear Magnetic Shielding Tensor Calculations
Can. J. Chem., 85, 496-505 (2007). PDFCover article.

EFGShield
             cover Can
                      J Chem

Download the EFGShield program here

38.

D. L. Bryce and E. B. Bultz
Alkaline Earth Chloride Hydrates: Chlorine Quadrupolar and Chemical Shift Tensors by Solid-State NMR Spectroscopy and Plane Wave Pseudopotential Calculations
Chem. Eur. J., 13, 4786-4796 (2007). PDF.
Chem Eur J

37.

D. L. Bryce and G. D. Sward
Chlorine-35/37 NMR Spectroscopy of Solid Amino Acid Hydrochlorides: Refinement of Hydrogen-Bonded Proton Positions Using Experiment and Theory
J. Phys. Chem. B, 110, 26461-26470 (2006). PDF.
36.

D. L. Bryce, S. Adiga, E. K. Elliott, and G. W. Gokel
A Solid-State 23Na NMR Study of Sodium Lariat Ether Receptors Exhibiting Cation-pi Interactions
J. Phys. Chem. A, 110, 13568-13577 (2006). PDF.
35.

H. M. Foucault, D. L. Bryce, and D. E. Fogg
A Chelate-Stabilized Ruthenium(s-Pyrrolato) Complex: Resolving Ambiguities in Nuclearity and Coordination Geometry through 1H PGSE and 31P Solid-State NMR Studies
Inorg. Chem., 45, 10293-10299 (2006). PDF.

ru1
34.

J. Ying, A. Grishaev, D. L. Bryce, and A. Bax
Chemical Shift Tensors of Protonated Base Carbons in Helical RNA from NMR Relaxation and Liquid Crystal Measurements
J. Am. Chem. Soc., 128, 11443-11454 (2006). PDF.
33.

D. L. Bryce
Spin-Spin Coupling Constants in Homonuclear Polynitrogen Species
Phys. Chem. Chem. Phys., 8, 3379-3382 (2006).  PDF.  Cover article.

PCCP cover
32.

D. L. Bryce, G. D. Sward, and S. Adiga
Solid-State 35/37Cl NMR Spectroscopy of Hydrochloride Salts of Amino Acids Implicated in Chloride Ion Transport Channel Selectivity: Opportunities at 900 MHz
J. Am. Chem. Soc. 128, 2121-2134 (2006)PDF.


31.

D. L. Bryce and G. D. Sward
Solid-State NMR Spectroscopy of the Quadrupolar Halogens: Chlorine-35/37, Bromine-79/81, and Iodine-127
Magn. Reson. Chem. 44, 409-450 (2006). PDF.  
30.

D. L. Bryce, A. Grishaev, and A. Bax
Measurement of Ribose Carbon Chemical Shift Tensors for A-form RNA by Liquid Crystal NMR Spectroscopy     
J. Am. Chem. Soc. 127, 7387-7396 (2005). PDF.   
                            
JACS2005
29.

J. Boisbouvier, D.L. Bryce, E. O'Neil-Cabello, E.P. Nikonowicz, and A. Bax   
Resolution-optimized NMR measurement of 1DCH, 1DCC and 2DCH residual dipolar couplings in nucleic acid bases.
J. Biomol. NMR 30, 287-301 (2004). PDF.
28.

E. O'Neil-Cabello, Z. Wu, D.L. Bryce, E.P. Nikonowicz, and A. Bax
Enhanced spectral resolution in RNA HCP spectra for measurement of 3JC2'P and 3JC4'P couplings and 31P chemical shift changes upon weak alignment.
J. Biomol. NMR 30, 61-70 (2004). PDF.
27.

E. Miclet, D.C. Williams Jr., G. M. Clore, D.L. Bryce, J. Boisbouvier and A. Bax
Relaxation-Optimized NMR Spectroscopy of Methylene Groups in Proteins and Nucleic Acids.
J. Am. Chem. Soc. 126, 10560-10570 (2004). PDF.
26.

D.L. Bryce, J. Boisbouvier, and A. Bax
Experimental and Theoretical Determination of Nucleic Acid Magnetic Susceptibility: Importance for the Study of Dynamics by Field-Induced Residual Dipolar Couplings.
J. Am. Chem. Soc. 126, 10820-10821 (2004). PDF.
25.

E. O'Neil-Cabello, D.L. Bryce, E.P. Nikonowicz, and A. Bax
Measurement of five dipolar couplings from a single 3D NMR multiplet applied to the study of RNA dynamics.
J. Am. Chem. Soc. 126, 66-67 (2004). PDF.

2gbh

Download pdb file for the NMR structure of stem region of helix-35 of 23S E.coli ribosomal RNA: 2GBH.pdb
24.

D.L. Bryce and A. Bax
Application of correlated residual dipolar couplings to the determination of the molecular alignment tensor magnitude of oriented proteins and nucleic acids.
J. Biomol. NMR 28, 273-287 (2004). PDF.

Faculty of 1000 "Recommended"
23.

David L. Bryce, Klaus Eichele, and Roderick E. Wasylishen
An 17O NMR and Quantum Chemical Study of Monoclinic and Orthorhombic Polymorphs of Triphenylphosphine Oxide
Inorg. Chem. 42, 5085-5096 (2003). PDF.
22.

David L. Bryce and Roderick E. Wasylishen
Microwave Spectroscopy and Nuclear Magnetic Resonance Spectroscopy - What is the Connection?
Acc. Chem. Res. 36, 327-334 (2003). PDF. Cover article.

Accounts of Chemical Research
21.

Michelle A. M. Forgeron, David L. Bryce, Roderick E. Wasylishen, and Roland Roesler
A Solid-State Multinuclear Magnetic Resonance Investigation of Hexamethylborazine
J. Phys. Chem. A 107, 726-735 (2003). PDF.
20.

David L. Bryce and Roderick E. Wasylishen
Evaluation of the Influence of Anisotropic Indirect Nuclear Spin-Spin Coupling Tensors on Effective Residual Dipolar Couplings for Model Peptides
J. Biomol. NMR 25, 73-78 (2003). PDF.
19.

Roderick E. Wasylishen and David L. Bryce
A Revised Experimental Absolute Magnetic Shielding Scale for Oxygen
J. Chem. Phys. 117, 10061-10066 (2002). PDF.
18.

Juha Vaara, Jukka Jokisaari, Roderick E. Wasylishen, and David L. Bryce
Spin-Spin Coupling Tensors as Determined by Experiment and Computational Chemistry
Prog. Nucl. Magn. Reson. Spectrosc. 41, 233-304 (2002). PDF.
17.

David L. Bryce and Roderick E. Wasylishen
A 95Mo and 13C Solid-State NMR and Relativistic DFT Investigation of Mesitylenetricarbonylmolybdenum(0) - A Typical Transition Metal Piano-Stool Complex
Phys. Chem. Chem. Phys. 4, 3591-3600 (2002). PDF.
16.

David L. Bryce and Roderick E. Wasylishen
Insight into the Structure of Silver Cyanide from 13C and 15N Solid-State NMR Spectroscopy
Inorg. Chem. 41, 4131-4138 (2002). PDF.
15.

David L. Bryce and Roderick E. Wasylishen
Interpretation of Indirect Nuclear Spin-Spin Coupling Tensors for Polyatomic Xenon Fluorides and Group 17 Fluorides: Results from Relativistic Density Functional Calculations
Inorg. Chem. 41, 3091-3101 (2002). PDF.
14.

David L. Bryce, Roderick E. Wasylishen, Jochen Autschbach, and Tom Ziegler
Periodic Trends in Indirect Nuclear Spin-Spin Coupling Tensors: Relativistic Density Functional Calculations for Interhalogen Diatomics
J. Am. Chem. Soc. 124, 4894-4900 (2002). PDF.
13.

David L. Bryce and Roderick E. Wasylishen
Ab Initio Characterization of Through-Space Indirect Nuclear Spin-Spin Coupling Tensors for Fluorine-X (X=F,C,H) Spin Pairs
J. Mol. Struct. 602-603, 463-472 (2002). PDFSpecial issue; invited contribution.
12.

David L. Bryce, Guy M. Bernard, Myrlene Gee, Michael D. Lumsden, Klaus Eichele, and Roderick E. Wasylishen
Practical Aspects of Modern Routine Solid-State Multinuclear Magnetic Resonance Spectroscopy: One-Dimensional Experiments
Can. J. Anal. Sci. Spect. 46, 46-82 (2001). PDFInvited contribution.
11.

David L. Bryce and Roderick E. Wasylishen
The First Chromium-53 Solid-State Nuclear Magnetic Resonance Spectra of Diamagnetic Chromium(0) and Chromium(VI) Compounds
Phys. Chem. Chem. Phys. 3, 5154-5157 (2001). PDF.
10.

David L. Bryce, Myrlene Gee, and Roderick E. Wasylishen
High-Field Chlorine NMR Spectroscopy of Solid Organic Hydrochloride Salts: A Sensitive Probe of Hydrogen Bonding Environment
J. Phys. Chem. A 105, 10413-10421 (2001). PDF.
9.

David L. Bryce and Roderick E. Wasylishen
Modeling 2h Jiso(N, N) in Nucleic Acid Base Pairs: Ab Initio Characterization of the 2h J(N, N) Tensor in the Methyleneimine Dimer as a Function of Hydrogen Bond Geometry
J. Biomol. NMR 19, 371-375 (2001). PDF.
8.

David L. Bryce, Roderick E. Wasylishen, and Myrlene Gee
Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding
J. Phys. Chem. A 105, 3633-3640 (2001). PDF.
7.

David L. Bryce and Roderick E. Wasylishen
Ab Initio Calculations of NMR Parameters For Diatomic Molecules: An Exercise In Computational Chemistry
J. Chem. Educ. 78, 124-133 (2001). PDF.
6.

David L. Bryce and Roderick E. Wasylishen
Symmetry Properties of Indirect Nuclear Spin-Spin Coupling Tensors: First Principles Results for ClF3 and OF2
J. Am. Chem. Soc. 122, 11236-11237 (2000). PDF.
5.

Roderick E. Wasylishen, David L. Bryce, Corey J. Evans, and Michael C. L. Gerry
Hyperfine Structure  in the Rotational Spectrum of GaF.  A Comparison of Experimental and Calculated Spin-Rotation and Electric Field Gradient Tensors
J. Mol. Spectrosc. 204, 184-194 (2000). PDF.
4.

David L. Bryce and Roderick E. Wasylishen
Dipolar-Chemical Shift and Rotational Resonance 13C NMR Studies of the Carboxyl-Methylene Spin Pair in Solid Phenylacetic Acid and Potassium Hydrogen Bisphenylacetate
J. Phys. Chem. A 104, 7700-7710 (2000). PDF.
3.

David L. Bryce and Roderick E. Wasylishen
Indirect Nuclear Spin-Spin Coupling Tensors in Diatomic Molecules: A Comparison of Results Obtained by Experiment and First Principles Calculations
J. Am. Chem. Soc. 122, 3197-3205 (2000). PDF.
2.

David L. Bryce and Roderick E. Wasylishen
Rotational Resonance in Solid State NMR
Encyclopedia of Spectroscopy and Spectrometry (Lindon, J. C., Tranter, G. E.; Holmes, J. L., eds.) Academic Press Ltd.; 2000, pp 2136-2144. PDFIinvited contribution.
1.

David L. Bryce and Roderick. E. Wasylishen
Beryllium-9 NMR Study of Solid Bis(2,4-pentanedionato-O,O')beryllium and Theoretical Studies of 9Be Electric Field Gradient and Chemical Shielding Tensors.  The First Evidence for Anisotropic Beryllium Shielding
J. Phys. Chem. A 103, 7364-7372 (1999). PDF.
 
Please note that downloads are for personal use only.


[ return to my homepage (new window) ]


Last updated November 24, 2017  DLB


David L. Bryce - Publications