Mechanochemical Preparations of Anion Coordinated Architectures Based on 3-Iodoethynylpyridine and 3-Iodoethynylbenzoic Acid

V. M. Morin, P. M. J. Szell, E. Caron-Poulin, B. Gabidullin, and D. L. Bryce

Submitted for publication (2019).

Editorial: Special Issue on Emerging Frontiers in Dynamic Nuclear Polarization NMR

V. K. Michaelis and D. L. Bryce

Solid State Nucl. Magn. Reson. (2019), in press.

Rapid Identification of Halogen Bonds in Cocrystalline Powders via 127I Nuclear Quadrupole Resonance Spectroscopy

P. M. J. Szell, L. Grebert, and D. L. Bryce

Submitted for publication (2019).

New Frontiers for Solid-State NMR Across the Periodic Table: A Snapshot of Modern Techniques and Instrumentation

D. L. Bryce

Dalton Trans., 48, 8014-8020 (2019). Invited contribution.

Single-Crystal NMR Characterization of Halogen Bonds

Y. Xu, B. Gabidullin, and D. L. Bryce

Submitted for publication (2019).

Metal-free π-Complexes Between Diborynes and Main Group Atoms

W. C. Ewing, T. Dellermann, Y. T. A. Wong, J. D. Mattock, A. Vargas, D. L. Bryce, and H. Braunschweig

Submitted for publication (2019).

Definition of the Chalcogen Bond

C. B. Aakeroy, D. L. Bryce, G. R. Desiraju, A. Frontera, A. C. Legon, F. Nicotra, K. Rissanen, S. Scheiner, G. Terraneo, P. Metrangolo, and G. Resnati

Pure Appl. Chem., in press (2019).

121/123Sb Nuclear Quadrupole Resonance Spectroscopy: Characterization of Non-Covalent Pnictogen Bonds and NQR Crystallography

C. Leroy, R. Johannson, and D. L. Bryce

J. Phys. Chem. A, 123, 1030-1043 (2019).  Cover article.

Halogen Bonding as a Supramolecular Dynamics Catalyst

P. M. J. Szell, S. Zablotny, and D. L. Bryce

Nature Commun., 10, article 916 (2019).

On the Importance of Accurate Nuclear Quadrupole Moments in NMR Crystallography

C. Leroy, P. M. J. Szell, and D. L. Bryce
Magn. Reson. Chem., 57, 265-267 (2019).  Invited contribution.

LINK

Editorial - A Dynamic Journal

D. L. Bryce

Solid State Nucl. Magn. Reson., 96, A1 (2018).

A Rare Example of a Phosphine as a Halogen Bond Acceptor

Y. Xu, J. Huang, B. Gabidullin, and D. L. Bryce
Chem. Commun., 54, 11041-11043 (2018).

Cosublimation: A Rapid Route Towards Otherwise Inaccessible Halogen-Bonded Architectures

P. M. J. Szell, S. A. Gabriel, E. Caron-Poulin, O. Jeannin, M. Fourmigue, and D. L. Bryce
Cryst. Growth Des., 18, 6227-6238 (2018).  Cover article.

Halide Ion Recognition via Chalcogen Bonding in the Solid State and in Solution. Directionality and Linearity

V. Kumar, C. Leroy, and D. L. Bryce
CrystEngComm, 20, 6406-6411 (2018).

Comparing the Halogen Bond to the Hydrogen Bond by Solid-State NMR: Anion Coordinated Dimers from 2- & 3-Iodoethynylpyridine Salts

P. M. J. Szell, G. Cavallo, G. Terraneo, P. Metrangolo, B. Gabidullin, and D. L. Bryce
Chem. Eur. J., 24, 11364-11376 (2018).

Recent Advances in Solid-State Nuclear Magnetic Resonance Spectroscopy of Exotic Nuclei

C. Leroy and D. L. Bryce
Prog. Nucl. Magn. Reson. Spectrosc., 109, 160-199 (2018).

79/81Br Nuclear Quadrupole Resonance Spectroscopic Characterization of Halogen Bonds in Supramolecular Assemblies

P. Cerreia Vioglio, P. M. J. Szell, M. R. Chierotti, R. Gobetto, and D. L. Bryce
Chem. Sci., 9, 4555-4561 (2018). Cover article.

3-(1,2,2-Triiodoethenyl)benzoic acid

P. M. J. Szell, B. Gabidullin, and D. L. Bryce
IUCrData, 3, x180258 (2018).

Mechanochemistry and Cocrystallization of 3-Iodoethynylbenzoic Acid with Nitrogen-Containing Heterocycles: Concurrent Halogen and Hydrogen Bonding

P. M. J. Szell, J. Dragon, S. Zablotny, S. R. Harrigan, B. Gabidullin, and D. L. Bryce
New J. Chem., 42, 10493-10501 (2018). Invited contribution. Cover article.

Halogen-Bond Driven Self-Assembly of Triangular Macrocycles

P. M. J. Szell, A. Siiskonen, L. Catalano, G. Cavallo, G. Terraneo, A. Priimagi, D. L. Bryce, and P. Metrangolo
New J. Chem., 42, 10467-10471 (2018).

Linear Dicoordinate Beryllium: A 9Be Solid-State NMR Study of a Discrete Zero-Valent s-Block Beryllium Complex

C. Leroy, J. K. Schuster, T. Schaefer, K. Müller-Buschbaum, H. Braunschweig, and D. L. Bryce
Can. J. Chem., 96, 646-652 (2018).  Invited contribution.

Solid-State Nuclear Magnetic Resonance and Nuclear Quadrupole Resonance as Complementary Tools to Study Quadrupolar Nuclei in Solids

P. M. J. Szell and D. L. Bryce
Concepts Magn. Reson., 45A, e21412 (2016). PDF. Invited contribution.

Structural Insights from 59Co Solid-State NMR Experiments on Organocobalt(I) Catalysts

K. M. N. Burgess, C. M. Widdifield, Y. Xu, C. Leroy, and D. L. Bryce
ChemPhysChem, 19, 227-236 (2018). PDF.

Recent Advances in 11B Solid-State Nuclear Magnetic Resonance Spectroscopy of Crystalline Solids

Y. T. A. Wong and D. L. Bryce
Annu. Rep. Nucl. Magn. Reson. Spectrosc., 93, 213-279 (2018). PDF. Invited contribution.

Solid-State Chemistry and Applications: General Discussion

C. B. Aakeroy, S. Alavi, N. K. Beyeh, L. Brammer, M. Branca, D. L. Bryce, et al.
Faraday Discuss., 203, 459-483 (2017). PDF. (Discussion)

The Halogen Bond in Solution: General Discussion

C. B. Aakeroy, P. D. Beer, N. K. Beyeh, L. Brammer, M. Branca, D. L. Bryce, et al.
Faraday Discuss., 203, 347-370 (2017). PDF. (Discussion)

Beyond the Halogen Bond: General Discussion

C. B. Aakeroy, S. Alavi, P. D. Beer, N. K. Beyeh, L. Brammer, D. L. Bryce, et al.
Faraday Discuss., 203, 227-244 (2017). PDF. (Discussion)

The Halogen Bond in Solution: General Discussion

C. B. Aakeroy, P. D. Beer, N. K. Beyeh, L. Brammer, M. Branca, D. L. Bryce, et al.
Faraday Discuss., 203, 347-370 (2017). PDF. (Discussion)

Computational Approaches and Sigma-Hole Interactions: General Discussion

C. B. Aakeroy, S. Alavi, L. Brammer, D. L. Bryce, et al.
Faraday Discuss., 203, 131-163 (2017). PDF. (Discussion)

A Kinetic Study of Mechanochemical Halogen Bond Formation by In-situ 31P Solid-State NMR Spectroscopy

Y. Xu, L. Champion, B. Gabidullin, and D. L. Bryce
Chem Commun., 53, 9930-9933 (2017). PDF.

Structural and Crystallographic Information from 61Ni Solid-State NMR Spectroscopy: Diamagnetic Nickel Compounds

P. Werhun and D. L. Bryce
Inorg. Chem., 56, 9996-10006 (2017). PDF.

Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy

Y. T. A. Wong, J. Landmann, M. Finze, and D. L. Bryce
J. Am. Chem. Soc., 139, 8200-8211 (2017). PDF.

NMR Crystallography. Structure and Properties of Materials from Solid-State Nuclear Magnetic Resonance Observables

D. L. Bryce
IUCrJ, 4, 350-359 (2017). PDF. Invited contribution.

Observation of CH...π Interactions Between Methyl and Carbonyl Groups in Proteins

F. A. Perras, D. Marion, J. Boisbouvier, D. L. Bryce, and M. J. Plevin
Angew. Chem. Int. Ed., 56, 7564-7567 (2017). PDF.
Angew. Chem., 129, 7672-7675 (2017). PDF.

Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds

S. A. Southern, D. Errulat, J. M. Frost, B. Gabidullin, and D. L. Bryce
Faraday Discuss., 203, 165-186 (2017). PDF.

1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: Halogen-Bonded Frameworks and NMR Spectroscopic Analysis

P. M. J. Szell, B. Gabidullin, and D. L. Bryce
Acta Cryst. B,  73, 153-164 (2017). PDF. Invited contribution.
       Scientific commentary on this article.

NMR Crystallography (editorial)

D. L. Bryce and F. Taulelle
Acta Cryst. C, 73, 126-127 (2017). PDF.

Multinuclear Solid-State Magnetic Resonance Study of Oxo-Bridged Diniobium and Quadruply-Bonded Dimolybdenum Carboxylate Clusters

L. Kobera, S. A. Southern, J. M. Frost, and D. L. Bryce
Solid State Nucl. Magn. Reson., 84, 20-27 (2017). PDF. Invited contribution.

13C and 19F Solid-State NMR and X-Ray Crystallographic Study of Halogen-Bonded Frameworks Featuring Nitrogen-Containing Heterocycles

P. M. J. Szell, S. A. Gabriel, R. D. D. Gill, S. Y. H. Wan, B. Gabidullin, and D. L. Bryce
Acta Cryst. C, 73, 157-167 (2017). PDF. Invited contribution.

Understanding the Structural Origin of Crystalline Phase Transformations in Nepheline Based Glass-Ceramics

A. Deshkar, J. Marcial, S. A. Southern, L. Kobera, D. L. Bryce, J. McCloy, and A. Goel
J. Am. Ceram. Soc., 100, 2859-2878 (2017). PDF.

From Discrete Molecule, to Polymer, to MOF: Mapping the Coordination Chemistry of CdII Using 113Cd Solid-State NMR

J. M. Frost, L. Kobera, A. Pialat, Y. Zhang, S. A. Southern, B. Gabidullin, D. L. Bryce, and M. Murugesu
Chem. Commun., 52, 10680-10683 (2016). PDF.

Solid-State NMR Studies of Halogen Bonding

P. M. J. Szell and D. L. Bryce
Modern Magnetic Resonance, pp 1-18 (2016), G. A. Webb, Ed.  Invited contribution. PDF.

The Role of Solid-State Nuclear Magnetic Resonance in Crystal Engineering

Y. Xu, S. A. Southern, P. M. J. Szell, and D. L. Bryce
CrystEngComm, 18, 5236-5252 (2016). PDF. Invited contribution.

35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles

P. M. J. Szell and D. L. Bryce
J. Phys. Chem. C, 120, 11121-11130 (2016). PDF.

New Experimental Insight into the Nature of Metal-Metal Bonds in Digallium Compounds: J Coupling Between Quadrupolar Nuclei

L. Kobera, S. A. Southern, G. Kumar Rao, D. S. Richeson, and D. L. Bryce
Chem. Eur. J., 22, 9565-9573 (2016). PDF. Cover article. 'Hot Paper'

Intercalation of Coordinatively Unsaturated Fe(III) Ion within Interpenetrated MOF-5

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
Chem. Eur. J., 22, 7711-7715 (2016). PDF.

Sterically-Driven Olefin Metathesis: The Impact of Alkylidene Substitution on Catalyst Activity

J. A. M. Lummiss, F. A. Perras, R. McDonald, D. L. Bryce, and D. E. Fogg
Organometallics, 35, 691-698 (2016). PDF.

Oxygen-17 NMR Spectroscopy of Water Molecules in Solid Hydrates

S. Nour, C. M. Widdifield, L. Kobera, K. M. N. Burgess, D. Errulat, V. V. Terskikh, and D. L. Bryce
Can. J. Chem., 94, 189-197 (2016). PDF.

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

Y. Xu, J. Viger-Gravel, I. Korobkov, and D. L. Bryce
J. Phys. Chem. C, 119, 27104-27117 (2015). PDF.

11B Solid-State NMR Interaction Tensors of Linear Two-Coordinate Boron: The Dimesitylborinium Cation

A. E. Alain, Y. Shoji, T. Fukushima, and D. L. Bryce
Inorg. Chem., 54, 11889-11896 (2015). PDF.

NMR Investigations of Non-Covalent Carbon Tetrel Bonds. Computational Assessment and Initial Experimental Observation

S. A. Southern and D. L. Bryce
J. Phys. Chem. A, 119, 11891-11899 (2015). PDF.

Structure and Solubility Behaviour of Zinc Containing Phosphate Glasses

N. Kanwal, H. Toms, A. C. Hannon, F. A. Perras, D. L. Bryce, N.Karpukhina, and I. Abrahams
J. Mater. Chem. B, 3, 8842-8855 (2015). PDF.

Tribute to John Ripmeester

D. Brouwer, D. L. Bryce, and Y. Huang
Can. J. Chem., 93, v-vi (2015). PDF.

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)

D. A. Safin, P. M. J. Szell, A. Keller, I. Korobkov, D. L. Bryce, and M. Murugesu
New J. Chem., 39, 7147-7152 (2015). PDF.

Spying on the Boron-Boron Triple Bond Using Spin-Spin Coupling Measured from 11B Solid-State NMR Spectroscopy

F. A. Perras, W. C. Ewing, T. Dellermann, J. Böhnke, S. Ullrich, T. Schäfer, H. Braunschweig, and D. L. Bryce
Chem. Sci. 6, 3378-3382 (2015). PDF.

Crystal Structure of Tetrabutylammonium Bromide 1,2,-Diiodo-3,4,5,6-tetrafluorobenzene Dichloromethane Solvate

J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Acta Cryst. E, 71, o286-o287 (2015). PDF.

Crystal Structure of Tetraethylammonium Chloride 3,4,5,6-Tetrafluoro-1,2-diiodobenzene

J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Acta Cryst. E, 71, o319-320 (2015). PDF.

Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties

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
Chem. Mater. 27, 2633-2646 (2015). PDF.

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

C. M. Widdifield, F. A. Perras, and D. L. Bryce
Phys. Chem. Chem. Phys. 17, 10118-10134 (2015). PDF.

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

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

High Sensitivity and Resolution in 43Ca Solid-State NMR Experiments

K. M. N. Burgess, F. A. Perras, I. L. Moudrakovski, Y. Xu, and D. L. Bryce
Can. J. Chem. 93, 799-807 (2015). PDF. Invited contribution.

Revisiting the Concept of Equivalence in Solid-State NMR

F. A. Perras and D. L. Bryce
eMagRes 4, 561-574 (2015). PDF. Invited contribution.

Direct Characterization of Metal-Metal Bonds Between Nuclei with Strong Quadrupolar Interactions via NMR Spectroscopy

F. A. Perras and D. L. Bryce
J. Phys. Chem. Lett., 5, 4049-4054 (2014). PDF.

Spectrometric Identification of Organic Compounds, 8th Edition

R. M. Silverstein, F. X. Webster, D. J. Kiemle, and D. L Bryce
Wiley, Hoboken NJ (2015). (Book)

Recent Advances in Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy

P. M. J. Szell and D. L. Bryce
Annu. Rep. Nucl. Magn. Reson. Spectrosc. 84, 115-162 (2015). PDF.

On the Crystal Structure of the Vaterite Polymorph of CaCO3. A Calcium-43 Solid-State NMR and Computational Assessment

K. M. N. Burgess and D. L. Bryce
Solid State Nucl. Magn. Reson. 65, 75-83 (2015). PDF.

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 

D. Safin, R. J. Holmberg, K. M. N. Burgess, K. Robeyns, D. L. Bryce, and M. Murugesu
Eur. J. Inorg. Chem. 441-446 (2015). PDF.

Calcium-43 Chemical Shift and Electric Field Gradient Tensor Interplay: A Sensitive Probe of Structure, Polymorphism, and Hydration

C. M. Widdifield, I. Moudrakovski, and D. L. Bryce
Phys. Chem. Chem. Phys., 16, 13340-13359 (2014). PDF.

Boron-Boron J Coupling Constants are Unique Probes of Electronic Structure: A Solid-State NMR and Molecular Orbital Study

F. A. Perras and D. L. Bryce
Chem. Sci., 5, 2428-2437 (2014). PDF.

Probing Halogen Bonds with Solid-State NMR Spectroscopy. Observation and Interpretation of J(77Se,31P) Coupling in Halogen-Bonded P=Se...I Motifs

J. Viger-Gravel, J. Meyer, I. Korobkov, and D. L. Bryce
CrystEngComm, 16, 7285-7297 (2014). PDF.

Direct Investigation of Halogen Bonds by Solid-State Multinuclear Magnetic Resonance Spectroscopy and Molecular Orbital Analysis

J. Viger-Gravel, S. Leclerc, I. Korobkov, and D. L. Bryce
J. Am. Chem. Soc., 136, 6929-6942 (2014). PDF.

Solid-State NMR Study of Halogen-Bonded Adducts

D. L. Bryce and J. Viger-Gravel
Top. Curr. Chem., 358, 183-204 (2015). PDF. Invited contribution for the volume on "Halogen Bonding: Impact on Materials Chemistry and Life Sciences" (Springer).

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

D. Safin, K. M. N. Burgess, I. Korobkov, D. L. Bryce, and M. Murugesu
CrystEngComm, 16, 3466-3469 (2014). PDF.

Theoretical Study of Homonuclear J Coupling Between Quadrupolar Spins: Single-Crystal, DOR, and J-Resolved NMR

F. A. Perras and D. L. Bryce
J. Magn. Reson, 242, 23-32 (2014). PDF.

Alkaline-Earth Metal Carboxylates Characterized by 43Ca and 87Sr Solid-State NMR: Impact of Metal-Amine Bonding

K. M. N. Burgess, Y. Xu, M. C. Leclerc, and D. L. Bryce
Inorg. Chem., 53, 552-561 (2014). PDF.

23Na Magic-Angle Spinning and Double-Rotation NMR Study of Solid Forms of Sodium Valproate

N. M. Dicaire, F. A. Perras, and D. L. Bryce
Can. J. Chem., 92, 9-15 (2014). PDF.

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

D. A. Safin, Y. Xu, I. Korobkov, D. L. Bryce, and M. Murugesu
CrystEngComm, 15, 10419-10422 (2013). PDF.

Symmetry-Amplified J Splittings for Quadrupolar Spin Pairs: A Solid-State NMR Probe of Homoatomic Covalent Bonds

F. A. Perras and D. L. Bryce
J. Am. Chem. Soc., 135, 12596-12599 (2013). PDF.

Insight into Magnesium Coordination Environments in Benzoate and Salicylate Complexes through 25Mg Solid-State NMR Spectroscopy

K. M. N. Burgess, Y. Xu, M. C. Leclerc, and D. L. Bryce
J. Phys. Chem. A, 117, 6561-6570 (2013). PDF.

NMR Crystallography of Sodium Diphosphates: Combining Dipolar, Shielding Quadrupolar, Diffraction, and Computational Information

F. A. Perras, I. Korobkov, and D. L. Bryce
CrystEngComm, 15, 8727-8738 (2013). PDF.

Multinuclear Solid-State Magnetic Resonance as a Sensitive Probe of Structural Changes upon the Occurrence of Halogen Bonding in Co-Crystals

C. M. Widdifield, G. Cavallo, G. A. Facey, T. Pilati, J. Lin, P. Metrangolo, G. Resnati, and D. L. Bryce
Chem. Eur. J., 19, 11949-11962 (2013). PDF.

Measuring Dipolar and J Coupling Between Quadrupolar Nuclei Using Double-Rotation NMR

F. A. Perras and D. L. Bryce
J. Chem. Phys., 138, 174202 (2013). PDF.

Correlation Between 13C Chemical Shifts and the Halogen Bonding Environment in a Series of Solid para-Diiodotetrafluorobenzene Complexes

J. Viger-Gravel, S. Leclerc, I. Korobkov, and D. L. Bryce
CrystEngComm, 15, 3168-3177 (2013). PDF. 

Signal Enhancement in Solid-State NMR of Quadrupolar Nuclei

F. A. Perras, J. Viger-Gravel, K. M. N. Burgess, and D. L. Bryce
Solid State Nucl. Magn. Reson., 51-52, 1-15 (2013). PDF. Invited contribution.

Multinuclear Magnetic Resonance Crystallographic Structure Refinement and Cross-Validation Using Experimental and Computed Electric Field Gradients: Application to Na2Al2B2O7

F. A. Perras and D. L. Bryce
J. Phys. Chem. C, 116, 19472-19482 (2012). PDF.

QUEST - Quadrupolar Exact Software: a Fast Graphical Program for the Exact Simulation of NMR and NQR Spectra for Quadrupolar Nuclei

F. A. Perras, C. M. Widdifield, and D. L. Bryce
Solid State Nucl. Magn. Reson., vol. 45-46, 36-44 (2012). PDF.

Sodium-23 Solid-State Nuclear Magnetic Resonance of Commercial Sodium Naproxen and its Solvates

K. M. N. Burgess, F. A. Perras, A. Lebrun, E. Messner-Henning, I. Korobkov, and D. L. Bryce
J. Pharm. Sci., 101, 2930-2940 (2012). PDF.

Direct Investigation of Covalently Bound Chlorine in Organic Compounds by Solid-State 35Cl NMR Spectroscopy and Exact Spectral Line-Shape Simulations

F. A. Perras and D. L. Bryce
Angew. Chem. Int. Ed., 51, 4227-4230 (2012). PDF.
Angew. Chem, 124, 4303-4306 (2012). PDF.

Halogen Bonding

D. L. Bryce
Chem. Int., 34, 27-29 (2012). Invited contribution.

First Structural Evidence for Multiple Alkali Metals between Sandwich Decks in a Metallocene

M. Jeletic, F. A. Perras, S. I. Gorelsky, J. J. Le Roy, I. Korobkov, D. L. Bryce, and M. Murugesu
Dalton Trans., 41, 8060-8066 (2012).  PDF.

Solid-State 11B and 13C NMR, IR, and X-ray Crystallographic Characterization of Selected Arylboronic Acids and Their Catechol Cyclic Esters

S.-W. Oh, J. W. E. Weiss, P. A. Kerneghan, I. Korobkov, K. E. Maly, and D. L. Bryce
Magn. Reson. Chem., 50, 388-401 (2012). PDF.

Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy

R. J. Attrell, C. M. Widdifield, I. Korobkov, and D. L. Bryce
Cryst. Growth Des., 12, 1641-1653 (2012). PDF. 

Potent Inhibition of Ice Recrystallization by Low Molecular Weight Carbohydrate-based Surfactants and Hydrogelators

C. J. Capicciotti, M. Leclere, F. A. Perras, D. L. Bryce, H. Paulin, J. Harden, and R. N. Ben
Chem. Sci. 3, 1408-1416 (2012). PDF. Cover article.

23Na Double-Rotation NMR of Sodium Nucleotides Leads to the Discovery of a New dCMP Hendecahydrate

F. A. Perras, I. Korobkov, and D. L. Bryce
Phys. Chem. Chem. Phys., 14, 4677-4681 (2012). PDF.

Using 69/71Ga Solid-State NMR and 127I NQR as Probes to Elucidate the Composition of "GaI"

C. M. Widdifield, T. Jurca, D. S. Richeson, and D. L. Bryce
Polyhedron, 35, 96-100 (2012). PDF.

A Combined Solid-State NMR and X-ray Crystallography Study of the Bromide Anion Environments in Triphenylphosphonium Bromides

K. M. N. Burgess, I. Korobkov, and D. L. Bryce
Chem. Eur. J., 18, 5748-5758 (2012). PDF.

Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra

D. L. Bryce and R. E. Wasylishen
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.

Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding

J. Viger-Gravel, I. Korobkov, and D. L. Bryce
Cryst. Growth Des., 11, 4984-4995 (2011). PDF. Invited contribution.

Residual Dipolar Coupling Between Quadrupolar Nuclei Under Magic-Angle Spinning and Double-Rotation Conditions

F. A. Perras and D. L. Bryce
J. Magn. Reson., 213, 82-89 (2011). PDF.

Tribute: Professor Roderick E. Wasylishen / Un hommage à Roderick E. Wasylishen

D. L. Bryce, G. Wu, and Y. Huang
Can. J. Chem., 89, xi-xvi (2011). PDF.

Definitive Solid-State 185/187Re NMR Spectral Evidence for and Analysis of the Origin of High-Order Quadrupole-Induced Effects for I = 5/2

C. M. Widdifield, A. D. Bain, and D. L. Bryce
Phys. Chem. Chem. Phys., 13, 12413-12420 (2011). PDF. Cover article.

Removal of Sidebands in Double-Rotation NMR in Real Time

F. A. Perras and D. L. Bryce
J. Magn. Reson., 211, 234-239 (2011). PDF.

Postsynthetic Modification of an Imine-Based Microporous Organic Network

P. A. Kernaghan, S. D. Halperin, D. L. Bryce, and K. E. Maly
Can. J. Chem., 89, 577-582, (2011). PDF.

Chlorine, Bromine, and Iodine Solid-State NMR

D. L. Bryce, C. M. Widdifield, R. P. Chapman, and R. J. Attrell
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.

A Multinuclear Solid-State Magnetic Resonance and GIPAW DFT Study of Anhydrous Calcium Chloride and its Hydrates

C. M. Widdifield and D. L. Bryce
Can. J. Chem., 89, 754-763 (2011). PDF.  Special issue; invited contribution.

A Solid-State 35/37Cl NMR Study of a Chloride Ion Receptor and GIPAW-DFT Study of Chlorine NMR Interaction Tensors in Organic Hydrochlorides

R. P. Chapman, J. R. Hiscock, P. A. Gale, and D. L. Bryce
Can. J. Chem., 89, 822-834 (2011). PDF. Special issue; invited contribution.

A ZORA-DFT and NLMO Study of the One-Bond Fluorine-X Indirect Nuclear Spin-Spin Coupling Tensors for Various VSEPR Geometries

F. A. Perras and D. L  Bryce
Can. J. Chem., 89, 789-802 (2011). PDF. Special issue; invited contribution.

Multinuclear Solid-State Magnetic Resonance Study of In+ and Ag+ in Neutral Weakly Coordinating Environments

A. Y. H. Lo, T. Jurca, D. S. Richeson, and D. L. Bryce
J. Phys. Chem. Lett., 1, 3078-3084 (2010).  PDF.

Solid-State 127I NMR and GIPAW DFT Study of Metal Iodides and their Hydrates: Structure, Symmetry, and Higher-Order Quadrupole-Induced Effects

C. M. Widdifield and D. L. Bryce
J. Phys. Chem. A, 114, 10810-10823 (2010).  PDF.

Calcium Binding Environments Probed by 43Ca NMR Spectroscopy

D. L. Bryce
Dalton Trans., 39, 8593-8602 (2010).  PDF.  Cover article.  Invited contribution.

A Computational Investigation of J Couplings Involving 27Al, 17O, and 31P

D. L. Bryce
Magn. Reson. Chem., 48, S69-S75 (2010). PDF. 

A Solid-State 11B NMR and Computational Study of  Boron Electric Field Gradient and Chemical Shift Tensors in Boronic Acids and Boronic Esters

J. W. E. Weiss and D. L. Bryce
J. Phys. Chem. A, 114, 5119-5131 (2010). PDF.

Direct Detection of CH/pi Interactions in Proteins

M. J. Plevin, D. L. Bryce, and J. Boisbouvier
Nature Chem. 2, 466-471 (2010). PDF.

Capsule Formation, Carboxylate Exchange, and DFT Exploration of Cadmium Cluster Metallocavitands: Highly Dynamic Supramolecules

P. D. Frischmann, G. A. Facey, P. Ghi, A. J. Gallant, D. L. Bryce, F. Lelj, and M. J. MacLachlan
J. Am. Chem. Soc., 132, 3893-3908 (2010). PDF.

Solid-State 79/81Br NMR and Gauge-Including Projector-Augmented Wave Study of Structure, Symmetry, and Hydration State in Alkaline Earth Metal Bromides

C. M. Widdifield and D. L. Bryce
J. Phys. Chem. A, 114, 2102-2116 (2010). PDF. 

Combining Oximes with Azides to Create a Novel 1D Chain [NaCoIII2] System: Synthesis, Structure, and Solid-State NMR

T. Pathmalingam, F. Habib, C. M. Widdifield, F. Loiseau, T. J. Burchell, S. I. Gorelsky, A. M. Beauchemin, D. L. Bryce, and M. Murugesu
Dalton Trans., 39, 1504-1510 (2010). PDF.

Measurement of Δ1J(199Hg,31P) in [HgPCy3(OAc)2]2 and Relativistic ZORA DFT Investigations of Mercury-Phosphorus Coupling Tensors

D. L. Bryce, N. M. Dorval Courchesne, and F. A. Perras
Solid State Nucl. Magn. Reson., 36, 182-191 (2009). PDF.

Tensor Interplay

D. L. Bryce
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). PDF.  Invited contribution.

Crystallographic Structure Refinement with Quadrupolar Nuclei: a Combined Solid-State NMR and GIPAW DFT Example Using MgBr2

C. M. Widdifield and D. L. Bryce
Phys. Chem. Chem. Phys., 11, 7120-7122 (2009). PDF.  Highlighted by PCCP as a top-cited paper,

Application of Multinuclear Magnetic Resonance and Gauge-Including Projector-Augmented Wave Calculations to the Study of Solid Group 13 Chlorides

R. P. Chapman and D. L. Bryce
Phys. Chem. Chem. Phys., 11, 6987-6998 (2009). PDF.  Special issue; invited contribution.

Solid-State NMR of  Quadrupolar Halogen Nuclei

R. P. Chapman, C. M. Widdifield, and D. L. Bryce
Prog. Nucl. Magn. Reson. Spectrosc., 55, 215-237 (2009). PDF. Invited contribution.

NMR Line Shapes from AB Spin Systems in Solids: The Role of Antisymmetric Spin-Spin Coupling

K. J. Harris, D. L. Bryce, and R. E. Wasylishen
Can. J. Chem., 87, 1338-1351 (2009). PDF. Special issue; invited contribution.

Relativistic Hybrid Density Functional Calculations of Indirect Nuclear Spin-Spin Coupling Tensors. Comparison with Experiment for Diatomic Alkali Metal Halides

D. L. Bryce and J. Autschbach
Can. J. Chem., 87, 927-941 (2009).  PDF.  Special issue; invited contribution.

Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy

C. M. Widdifield, R. P. Chapman, and D. L. Bryce
Annu. Rep. Nucl. Magn. Reson. Spectrosc., 66, 195-326 (2009). PDF. Invited contribution.

Tensor Interplay

D. L. Bryce
In 'Encyclopedia of Magnetic Resonance'; R. K. Harris and R. E. Wasylishen, Eds.; Wiley (2008). PDF. Invited contribution.

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.

D. L. Bryce, E. B. Bultz, and D. Aebi
J. Am. Chem. Soc., 130, 9282-9292 (2008). PDF.

Liquid Crystal NMR Structure of HIV TAR RNA Bound to its SELEX RNA Aptamer Reveals the Origins of the High Stability of the Complex

H. Van Melckebeke, M. Devany, C. Di Primo, F. Beaurain, J.-J. Toulme, D. L. Bryce, and J. Boisbouvier
Proc. Natl. Acad. Sci. USA, 105, 9210-9215 (2008). PDF.

Application of Ultrahigh-Field 59Co Solid-State NMR Spectroscopy in the Investigation of the 1,2-Polybutadiene Catalyst [Co(C8H13)(C4H6)]

P. Crewdson, D. L. Bryce, F. Rominger, and P. Hofmann
Angew. Chem. Int. Ed., 47, 3454-3457 (2008). PDF.
Angew. Chem., 120, 3503-3507 (2008). PDF.

Substituted 4,4'-Stilbenoid NCN-Pincer Platinum(II) Complexes.  Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED

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
Organometallics, 27, 1690-1701 (2008). PDF.

A High-Field Solid-State 35/37Cl NMR and Quantum Chemical Investigation of the Chlorine Quadrupolar and Chemical Shift Tensors in Amino Acid Hydrochlorides

R. P. Chapman and D. L. Bryce
Phys. Chem. Chem. Phys., 9, 6219-6230 (2007). PDF.

K-39 Quadrupolar and Chemical Shift Tensors for Organic Potassium Complexes and Diatomic Molecules

P. K. Lee, R. P. Chapman, L. Zhang, J. Hu, L. J. Barbour, E. K. Elliott, G. W. Gokel, and D. L. Bryce
J. Phys. Chem. A, 111, 12859-12863 (2007).  PDF.

EFGShield: A Program for Parsing and Summarizing the Results of Electric Field Gradient and Nuclear Magnetic Shielding Tensor Calculations

S. Adiga, D. Aebi, and D. L. Bryce
Can. J. Chem., 85, 496-505 (2007). PDF.  Cover article.

Alkaline Earth Chloride Hydrates: Chlorine Quadrupolar and Chemical Shift Tensors by Solid-State NMR Spectroscopy and Plane Wave Pseudopotential Calculations

D. L. Bryce and E. B. Bultz
Chem. Eur. J., 13, 4786-4796 (2007). PDF.

Chlorine-35/37 NMR Spectroscopy of Solid Amino Acid Hydrochlorides: Refinement of Hydrogen-Bonded Proton Positions Using Experiment and Theory

D. L. Bryce and G. D. Sward
J. Phys. Chem. B, 110, 26461-26470 (2006). PDF.

A Solid-State 23Na NMR Study of Sodium Lariat Ether Receptors Exhibiting Cation-pi Interactions

D. L. Bryce, S. Adiga, E. K. Elliott, and G. W. Gokel
J. Phys. Chem. A, 110, 13568-13577 (2006). PDF.

A Chelate-Stabilized Ruthenium(s-Pyrrolato) Complex: Resolving Ambiguities in Nuclearity and Coordination Geometry through 1H PGSE and 31P Solid-State NMR Studies

H. M. Foucault, D. L. Bryce, and D. E. Fogg
Inorg. Chem., 45, 10293-10299 (2006). PDF.

Chemical Shift Tensors of Protonated Base Carbons in Helical RNA from NMR Relaxation and Liquid Crystal Measurements

J. Ying, A. Grishaev, D. L. Bryce, and A. Bax
J. Am. Chem. Soc., 128, 11443-11454 (2006). PDF.

Spin-Spin Coupling Constants in Homonuclear Polynitrogen Species

D. L. Bryce
Phys. Chem. Chem. Phys., 8, 3379-3382 (2006).  PDF.  Cover article.

Solid-State 35/37Cl NMR Spectroscopy of Hydrochloride Salts of Amino Acids Implicated in Chloride Ion Transport Channel Selectivity: Opportunities at 900 MHz

D. L. Bryce, G. D. Sward, and S. Adiga
J. Am. Chem. Soc. 128, 2121-2134 (2006).  PDF.

Solid-State NMR Spectroscopy of the Quadrupolar Halogens: Chlorine-35/37, Bromine-79/81, and Iodine-127

D. L. Bryce and G. D. Sward
Magn. Reson. Chem. 44, 409-450 (2006). PDF. 

Measurement of Ribose Carbon Chemical Shift Tensors for A-form RNA by Liquid Crystal NMR Spectroscopy     

D. L. Bryce, A. Grishaev, and A. Bax
J. Am. Chem. Soc. 127, 7387-7396 (2005). PDF.

Resolution-optimized NMR measurement of 1DCH, 1DCC and 2DCH residual dipolar couplings in nucleic acid bases.

J. Boisbouvier, D.L. Bryce, E. O'Neil-Cabello, E.P. Nikonowicz, and A. Bax   
J. Biomol. NMR 30, 287-301 (2004). PDF.

Enhanced spectral resolution in RNA HCP spectra for measurement of 3JC2'P and 3JC4'P couplings and 31P chemical shift changes upon weak alignment.

E. O'Neil-Cabello, Z. Wu, D.L. Bryce, E.P. Nikonowicz, and A. Bax
J. Biomol. NMR 30, 61-70 (2004). PDF.

Relaxation-Optimized NMR Spectroscopy of Methylene Groups in Proteins and Nucleic Acids

E. Miclet, D.C. Williams Jr., G. M. Clore, D.L. Bryce, J. Boisbouvier and A. Bax
J. Am. Chem. Soc. 126, 10560-10570 (2004). PDF.

Experimental and Theoretical Determination of Nucleic Acid Magnetic Susceptibility: Importance for the Study of Dynamics by Field-Induced Residual Dipolar Couplings.

D.L. Bryce, J. Boisbouvier, and A. Bax
J. Am. Chem. Soc. 126, 10820-10821 (2004). PDF.

Measurement of five dipolar couplings from a single 3D NMR multiplet applied to the study of RNA dynamics.

E. O'Neil-Cabello, D.L. Bryce, E.P. Nikonowicz, and A. Bax
J. Am. Chem. Soc. 126, 66-67 (2004). PDF.

Application of correlated residual dipolar couplings to the determination of the molecular alignment tensor magnitude of oriented proteins and nucleic acids

D.L. Bryce and A. Bax
J. Biomol. NMR 28, 273-287 (2004). PDF.

An 17O NMR and Quantum Chemical Study of Monoclinic and Orthorhombic Polymorphs of Triphenylphosphine Oxide

David L. Bryce, Klaus Eichele, and Roderick E. Wasylishen
Inorg. Chem. 42, 5085-5096 (2003). PDF.

Microwave Spectroscopy and Nuclear Magnetic Resonance Spectroscopy - What is the Connection?

David L. Bryce and Roderick E. Wasylishen
Acc. Chem. Res. 36, 327-334 (2003). PDF. Cover article.

A Solid-State Multinuclear Magnetic Resonance Investigation of Hexamethylborazine

Michelle A. M. Forgeron, David L. Bryce, Roderick E. Wasylishen, and Roland Roesler
J. Phys. Chem. A 107, 726-735 (2003). PDF.

Evaluation of the Influence of Anisotropic Indirect Nuclear Spin-Spin Coupling Tensors on Effective Residual Dipolar Couplings for Model Peptides

David L. Bryce and Roderick E. Wasylishen
J. Biomol. NMR 25, 73-78 (2003). PDF.

A Revised Experimental Absolute Magnetic Shielding Scale for Oxygen

Roderick E. Wasylishen and David L. Bryce
J. Chem. Phys. 117, 10061-10066 (2002). PDF.


Spin-Spin Coupling Tensors as Determined by Experiment and Computational Chemistry

Juha Vaara, Jukka Jokisaari, Roderick E. Wasylishen, and David L. Bryce
Prog. Nucl. Magn. Reson. Spectrosc. 41, 233-304 (2002). PDF.

A 95Mo and 13C Solid-State NMR and Relativistic DFT Investigation of Mesitylenetricarbonylmolybdenum(0) - A Typical Transition Metal Piano-Stool Complex

David L. Bryce and Roderick E. Wasylishen
Phys. Chem. Chem. Phys. 4, 3591-3600 (2002). PDF.


Insight into the Structure of Silver Cyanide from 13C and 15N Solid-State NMR Spectroscopy

David L. Bryce and Roderick E. Wasylishen
Inorg. Chem. 41, 4131-4138 (2002). PDF.


Interpretation of Indirect Nuclear Spin-Spin Coupling Tensors for Polyatomic Xenon Fluorides and Group 17 Fluorides: Results from Relativistic Density Functional Calculations

David L. Bryce and Roderick E. Wasylishen
Inorg. Chem. 41, 3091-3101 (2002). PDF.


Periodic Trends in Indirect Nuclear Spin-Spin Coupling Tensors: Relativistic Density Functional Calculations for Interhalogen Diatomics

David L. Bryce, Roderick E. Wasylishen, Jochen Autschbach, and Tom Ziegler
J. Am. Chem. Soc. 124, 4894-4900 (2002). PDF.


Ab Initio Characterization of Through-Space Indirect Nuclear Spin-Spin Coupling Tensors for Fluorine-X (X=F,C,H) Spin Pairs

David L. Bryce and Roderick E. Wasylishen
J. Mol. Struct. 602-603, 463-472 (2002). PDF.  Special issue; invited contribution.


Practical Aspects of Modern Routine Solid-State Multinuclear Magnetic Resonance Spectroscopy: One-Dimensional Experiments

David L. Bryce, Guy M. Bernard, Myrlene Gee, Michael D. Lumsden, Klaus Eichele, and Roderick E. Wasylishen
Can. J. Anal. Sci. Spect. 46, 46-82 (2001). PDF. PDF.  Invited contribution.



The First Chromium-53 Solid-State Nuclear Magnetic Resonance Spectra of Diamagnetic Chromium(0) and Chromium(VI) Compounds

David L. Bryce and Roderick E. Wasylishen
Phys. Chem. Chem. Phys. 3, 5154-5157 (2001). PDF.


High-Field Chlorine NMR Spectroscopy of Solid Organic Hydrochloride Salts: A Sensitive Probe of Hydrogen Bonding Environment

David L. Bryce, Myrlene Gee, and Roderick E. Wasylishen
J. Phys. Chem. A 105, 10413-10421 (2001). PDF.


Modeling 2hJiso(N, N) in Nucleic Acid Base Pairs: Ab Initio Characterization of the 2hJ(N, N) Tensor in the Methyleneimine Dimer as a Function of Hydrogen Bond Geometry

David L. Bryce and Roderick E. Wasylishen
J. Biomol. NMR 19, 371-375 (2001). PDF.


Characterization of Tricoordinate Boron Chemical Shift Tensors: Definitive High-Field Solid-State NMR Evidence for Anisotropic Boron Shielding

David L. Bryce, Roderick E. Wasylishen, and Myrlene Gee
J. Phys. Chem. A 105, 3633-3640 (2001). PDF.


Ab Initio Calculations of NMR Parameters For Diatomic Molecules: An Exercise In Computational Chemistry

David L. Bryce and Roderick E. Wasylishen
J. Chem. Educ. 78, 124-133 (2001). PDF.


Symmetry Properties of Indirect Nuclear Spin-Spin Coupling Tensors: First Principles Results for ClF3 and OF2

David L. Bryce and Roderick E. Wasylishen
J. Am. Chem. Soc. 122, 11236-11237 (2000). PDF.


Hyperfine Structure  in the Rotational Spectrum of GaF.  A Comparison of Experimental and Calculated Spin-Rotation and Electric Field Gradient Tensors

Roderick E. Wasylishen, David L. Bryce, Corey J. Evans, and Michael C. L. Gerry
J. Mol. Spectrosc. 204, 184-194 (2000). PDF.


Dipolar-Chemical Shift and Rotational Resonance 13C NMR Studies of the Carboxyl-Methylene Spin Pair in Solid Phenylacetic Acid and Potassium Hydrogen Bisphenylacetate

David L. Bryce and Roderick E. Wasylishen
J. Phys. Chem. A 104, 7700-7710 (2000). PDF.


Indirect Nuclear Spin-Spin Coupling Tensors in Diatomic Molecules: A Comparison of Results Obtained by Experiment and First Principles Calculations

David L. Bryce and Roderick E. Wasylishen
J. Am. Chem. Soc. 122, 3197-3205 (2000). PDF.


Rotational Resonance in Solid State NMR

David L. Bryce and Roderick E. Wasylishen
Encyclopedia of Spectroscopy and Spectrometry (Lindon, J. C., Tranter, G. E.; Holmes, J. L., eds.) Academic Press Ltd.; 2000, pp 2136-2144. PDF.  Iinvited contribution.


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

David L. Bryce and Roderick. E. Wasylishen
J. Phys. Chem. A 103, 7364-7372 (1999). PDF.