149. C.H. Fleischer III, S.T. Holmes, K. Levin, S.L. Veinberg, and R.W. Schurko*, 2024. Characterization of Ephedrine HCl and Pseudoephedrine HCl Using Quadrupolar NMR Crystallography Guided Crystal Structure Prediction. Faraday Disc. 2024 In press. DOI: 10.1039/D4FD00089G
148. F.J. Scott, T. Dubroca, R.W. Schurko, S. Hill, J.R. Long*, and F. Mentink-Vigier*, 2024. Characterization of dielectric properties and their impact on MAS-DNP NMR applications. J. Magn. Reson. In press. DOI: 10.1016/j.jmr.2024.107742
147. R.E. Ortega, J.E. Kuszynski, R.B. Smith, A. Bayles, S.A. McGill, N.J. Halas, R.W. Schurko*, and G.F. Strouse*, 2024. Observing Metallic Carriers in Highly Faceted Plasmonic Cd2SnO4 Inverse Spinel Nanocrystals. Adv. Optical Mater. In press. DOI: 10.1002/adom.202400388
146. A.J. Stirk, S.T. Holmes, F.E.S. Souza, I. Hung, Z. Gan, J.F. Britten, A.W. Rey, and R.W. Schurko, 2024.* An Unusual Ionic Cocrystal of Ponatinib Hydrochloride: Characterization by Single-Crystal X-Ray Diffraction and Ultra-High Field NMR Spectroscopy. CrystEngComm 2024, 26, 1219 - 1233. DOI:10.1039/D3CE01062G
145. S.T. Holmes, J. Schoenzart, A.B. Philips, J.J. Kimball, S. Termos, A.R. Altenhof, Y. Xu, , C.A. O’Keefe, J. Autschbach,* and R.W. Schurko*, 2023. Structure and Bonding in Rhodium Coordination Compounds: A 103Rh Solid-State NMR and Relativistic DFT Study. Chem. Sci. 15, 2181 - 2196. DOI: 10.1039/D3SC06026H
144. S.T. Holmes, C.M. Boley, A. Dewicki, Z.T. Gardner, C.S. Vojvodin, R.J. Iuliucci,* and R.W. Schurko*, 2023. Carbon-13 Chemical Shift Tensor Measurements for Nitrogen-Dense Compounds. In press. DOI: 10.1002/mrc.5422
143. M. Houlleberghs, S. Helsper, D. Dom, T. Dubroca, B. Trociewitz, R.W. Schurko, S. Radhakrishnan, and E. Breynaert*, 2023. Building a cost-efficient high-pressure cell for online high-field NMR and MRI using standard static probe heads: An in situ demonstration on clathrate hydrate formation. Analyt. Chem. 95, 46, 16936–16942. DOI: 10.1021/acs.analchem.3c03050
142. J.J. Kimball, A.R. Altenhof, M.J. Jaroszewicz, and R.W. Schurko*, 2023. Broadband Cross Polarization to Half-Integer Quadrupolar Nuclei in Stationary Samples. Published in J. Phys. Chem. 127, 45, 9621–9634. DOI: 10.1021/acs.jpca.3c05447
141. M.J. Jaroszewicz, A.R. Altenhof, R.W. Schurko*, L. Frydman*, 2023. An Automated Multi-Order Phase Correction Routine for Processing Ultra-Wideline NMR Spectra. J. Magn. Reson. 354, 107528. DOI: 10.1016/j.jmr.2023.107528
140. L.M. Abdulla,† A.A. Peach,† S.T. Holmes,† Z.T. Dowdell, L.K. Watanabe, E.M. Iacobelli, D.A. Hirsh, J.M. Rawson, and R.W. Schurko,* 2023. Synthesis and Characterization of Xylazine Hydrochloride Polymorphs, Hydrates, and Cocrystals: A 35Cl Solid-State NMR and DFT Study. Cryst. Growth. Des. 23, 3412–3426. DOI: 10.1021/acs.cgd.2c01539 † = equal contributions from these authors
139. A.A. Peach, S.T. Holmes, L.R. MacGillivray, and R.W. Schurko,* 2023. The Formation and Stability of Fluoxetine HCl Cocrystals Investigated by Multicomponent Milling. CrystEngComm 25, 213-224. DOI: 10.1039/D2CE01341J
138. S.T. Holmes, C.S. Vojvodin, and R.W. Schurko*, 2022. Hydrates of Active Pharmaceutical Ingredients: A 35Cl and 2H Solid-State NMR and DFT Study. Solid State NMR 122, 101837. DOI: 10.1016/j.ssnmr.2022.101837 Invited article for a special issue on SSNMR of Pharmaceuticals.
137. A.R. Altenhof, H. Mason*, and R.W. Schurko*, 2022. DESPERATE: A Python Library for Processing and Denoising NMR Spectra. J. Magn. Reson. 346, 107320 DOI:10.1016/j.jmr.2022.107320
136. A.R. Altenhof, M.J. Jaroszewicz, L. Frydman,* and R.W. Schurko,*, 2022. 3D Relaxation-Assisted Separation of Wideline Solid-State NMR Patterns for Achieving Site Resolution. PhysChemChemPhys 24, 22792 - 22805. DOI: 10.1039/D2CP00910B
135. E. Meirovitch,* Z. Liang, R.W. Schurko, S.J. Loeb, and J.H. Freed,* 2022. Structural Dynamics by NMR in the Solid-State: II. The MOMD Perspective of the Dynamic Structure of Metal-Organic Frameworks Comprising Several Mobile Components. J. Phys. Chem. B. 13, 2452–2465. DOI: 10.1021/acs.jpcb.1c10120
134. A.R. Altenhof, Z. Gan, and R.W. Schurko*, 2022. Reducing the Effects of Weak Homonuclear Dipolar Coupling with CPMG Pulse Sequences for Static and Spinning Solids. J. Magn. Reson. 337, 107174. DOI: 10.1016/j.jmr.2022.107174
133. C.S. Vojvodin, S.T. Holmes, L.K. Watanabe, J.M. Rawson, and R.W. Schurko*, 2022. Multi-Component Crystals Containing Urea: Mechanochemical Synthesis and Characterization by 35Cl Solid-State NMR Spectroscopy and DFT Calculations. CrystEngComm 24, 2626. Invited article. DOI: 10.1039/D1CE01610E
132. S.T. Holmes, J.M. Hook, and R.W. Schurko*, 2022. Nutraceuticals in Bulk and Dosage Forms: Analysis by 35Cl and 14N Solid-State NMR and DFT Calculations. Mol. Pharm. 19, 440–455. Published online. DOI: 10.1021/acs.molpharmaceut.1c00708
131. M.J. Jaroszewicz, A.R. Altenhof, R.W. Schurko*, and L. Frydman*, 2021. Sensitivity Enhancement by Progressive Saturation of the Proton Reservoir: A Solid-State NMR Analogue of Chemical Exchange Saturation Transfer. J. Am. Chem. Soc. 143, 19778–19784. DOI: 10.1021/jacs.1c08277
130. A. Gonzalez-Nelson, S. Mula, M. Šimėnas, S. Balciunas, A.R. Altenhof, C.S. Vojvodin, S. Canossa, J. Banys, R.W. Schurko,* F.-X. Coudert,* and M. van der Veen,* 2021. Emergence of coupled rotor dynamics in metal–organic frameworks via tuned steric interactions. J. Am. Chem. Soc. 143, 12053–12062 DOI: 10.1021/jacs.1c03630
129. G. Baggi, B.H. Wilson, A. Dhara, C.A. O’Keefe, R.W. Schurko*, and S.J. Loeb*, 2021. Dynamics of a [2]rotaxane wheel in a crystalline molecular solid. Chem. Commun. 57, 8210–8213. DOI: 10.1039/d1cc03009d
128. A.R. Altenhof, S. Wi, and R.W. Schurko*, 2021. Broadband Adiabatic Inversion Cross-Polarization to Integer-Spin Nuclei with Application to Deuterium NMR. Magn. Reson. Chem. 59, 1009-1023. Invited article for special issue in Magnetic Resonance in Chemistry on Recent Advances in Solid-State NMR Spectroscopy of Quadrupolar Nuclei. DOI: 10.1002/mrc.5145
127. B.H. Wilson, L.M. Abdulla, R.W. Schurko*, and S.J. Loeb*, 2021. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal–organic framework. Chem. Sci. 12, 3944-3951. DOI: 10.1039/D0SC06837C
126. I. Hung, A.R. Altenhof, R.W. Schurko*, D.L. Bryce, O.C. Han, and Z. Gan*, 2021. Field-stepped ultra-wideline NMR at up to 36 T: on the inequivalence between field- and frequency-stepping. Magn. Reson. Chem. 59, 951-960. Invited article for special issue in Magnetic Resonance in Chemistry on Recent Advances in Solid-State NMR Spectroscopy of Quadrupolar Nuclei. DOI: 10.1002/mrc.5128.
125. A.R. Altenhof, M.J. Jaroszewicz, K.J. Harris, and R.W. Schurko*, 2021. Broadband Adiabatic Inversion Experiments for the Measurement of Longitudinal Relaxation Time Constants. J. Chem. Phys. 154, 034202. DOI: 10.1063/5.0039017
124. A.J. Stirk, B.H. Wilson, C.A. O’Keefe, H. Amarne, K. Zhu, R.W. Schurko*, and S.J. Loeb*, 2021. Applying reticular synthesis to the design of Cu-based MOFs with mechanically interlocked linkers. Nano Research, 14, 417–422. DOI: 10.1007/s12274-020-3123-z
123. B.H. Wilson, C.S. Vojvodin, G. Gholami, L.M. Abdulla, C.A. O’Keefe, R.W. Schurko*, and S.J. Loeb*, 2021. Precise Spatial Arrangement and Interaction between Two Different Mobile Components in a Metal-Organic Framework. Chem 7, 202-211. DOI: 10.1016/j.chempr.2020.11.009
122. S.T. Holmes, C.S. Vojvodin, and R.W. Schurko*, 2020. Dispersion-Corrected DFT Methods for Applications in NMR Crystallography. J. Phys. Chem. A 124, 10312–10323. DOI: 10.1021/acs.jpca.0c06372
121. A.R. Altenhof, M.J. Jaroszewicz, A.W. Lindquist, L.D.D. Foster, S.L. Veinberg, and R.W. Schurko*, 2020. Practical Aspects of Recording Ultra-Wideline NMR Patterns Under Magic-Angle Spinning Conditions. J. Phys. Chem. C. 124, 14730–14744. Invited article for a Festschrift for Prof. Helmutt Eckert. DOI: 10.1021/acs.jpcc.0c04510
120. M.W. Drover*, M.C. Dufour, L.A. Lesperance-Nantau, R.P. Noriega, K. Levin, and R.W. Schurko, 2020. Octaboraneyl Complexes of Nickel: Monomers for Redox-Active Coordination Polymers Chem. Eur. J. 26, 11180-11186. DOI: 10.1002/chem.202001218
119. C.A. O’Keefe, C. Mottillo, L. Fábián, T. Friščić* and R.W. Schurko*, 2020. NMR-Enhanced Crystallography Aids Open Metal-Organic Framework Discovery Using Solvent-Free Accelerated Aging. Chem. Mater. 32, 4273–4281. DOI: 10.1021/acs.chemmater.0c00894
118. B.H. Wilson, G. Gholami, Kelong Zhu, C.A. O’Keefe, R.W. Schurko,* and S.J. Loeb,* 2020. Exploring the Dynamics of Zr-Based Metal-organic Frameworks Containing Mechanically Interlocked Molecular Shuttles. Faraday Discussions 225, 358-370 DOI: 10.1039/D0FD00004C Invited article for themed collection: Cooperative phenomena in framework materials
117. S.T. Holmes, O.G. Engl, M.N. Srnec, J.D. Madura, R. Quiñones, J.K. Harper, R.W. Schurko,* and R.J. Iuliucci*, 2020. Chemical Shift Tensors of Cimetidine Form A Modeled with DFT Calculations: Implications for NMR Crystallography. J. Phys. Chem. C. 124, 3109-3119. DOI: 10.1021/acs.jpca.0c00421
116. D.A. Hirsh, S.T. Holmes, P. Chakravarty, A.A. Peach, A.G. DiPasquale, K. Nagapudi,* and R.W. Schurko,* 2019. In Situ Characterization of Waters of Hydration in a Variable-Hydrate Active Pharmaceutical Ingredient using 35Cl Solid State NMR and X-ray Diffraction. Cryst. Growth Design 12, 7349-7362. Invited article to memorial issue for Joel Bernstein. DOI: 10.1021/acs.cgd.9b01218
115. A.A. Altenhof, A.W. Lindquist, L.D.D. Foster, S.T. Holmes, and R.W. Schurko*, 2019. On the Use of Frequency-Swept Pulses and Pulses Designed with Optimal Control Theory for the Acquisition of Ultra-Wideline NMR Spectra. J. Magn. Reson. 309, 106612. DOI: 10.1016/j.jmr.2019.106612
114. P. Martinez-Bulit, C.A. O’Keefe, K. Zhu, R.W. Schurko, and Stephen J. Loeb*, 2019. Solvent and Steric Influences on Rotational Dynamics in Porphyrinic Metal-Organic Frameworks with Mechanically Interlocked Pillars. Cryst. Growth & Design. 19, 5679-5685. DOI: 10.1021/acs.cgd.9b00669.
113. S.T. Holmes and R.W. Schurko*, 2019. A DFT/ZORA Study of Cadmium Magnetic Shielding Tensors: Analysis of Relativistic Effects and Electronic-State Approximations. J. Chem. Theor. Comput. 15, 1785-1797. DOI: 10.1021/acs.jctc.8b01296
112. A. Angeloski, A. Rawal, M. Bhadbhade, J.M. Hook, R.W. Schurko, and A.M. McDonagh*, 2019. An unusual mercury(II) di-isopropyldithiocarbamate coordination polymer. Cryst. Growth & Design, 19, 1125-1133. DOI: 10.1021/acs.cgd.8b01619
111. S. Wi*, R.W. Schurko, and L. Frydman, 2018. Broadband adiabatic inversion cross-polarization phenomena in the NMR of rotating solids. Solid-State NMR 94, 31-53. DOI: 10.1016/j.ssnmr.2018.08.003
110. D.A. Hirsh, Y. Su, H. Nie, W. Xu, D. Steuber, N. Variankaval, and R.W. Schurko*, 2018. Quantifying Disproportionation in Pharmaceutical Formulations with 35Cl Solid-State NMR. Mol. Pharm. 15, 4038–4048. DOI: 10.1021/acs.molpharmaceut.8b00470
109. A.A. Peach, D.A. Hirsh, S.T. Holmes, and R.W. Schurko*, 2018. Mechanochemical Syntheses and 35Cl Solid-State NMR Characterization of Fluoxetine HCl Cocrystals. CrystEngComm 20, 2780-2792 DOI: 10.1039/C8CE00378E
108. S.T. Holmes and R.W. Schurko*, 2018. Refining Crystal Structures with Quadrupolar NMR and Dispersion-Corrected Density Functional Theory. J. Phys. Chem. C. 122, 1809–1820. DOI: 10.1021/acs.jpcc.7b12314
107. S. Wi*, C. Kim, R.W. Schurko, and L. Frydman, 2017. Adiabatic Sweep Cross-Polarization Magic-Angle-Spinning NMR of Half-Integer Quadrupolar Spins. J. Magn. Reson. 277, 131-142. DOI: 10.1016/j.jmr.2017.02.021
106. S. Wi*, R.W. Schurko, and L. Frydman, 2017. 1H-2H Cross-Polarization NMR in Fast Spinning Solids by Adiabatic Sweeps, J. Chem. Phys. 146, 104201. DOI: 10.1063/1.4976980
105. S.L. Veinberg, A.W. Lindquist, M.J. Jaroszewicz, and R.W. Schurko,* 2017. Practical Considerations for the Acquisition of Ultra-Wideline 14N NMR Spectra. Solid-State NMR 84, 45-58. DOI: 10.1016/j.ssnmr.2016.12.008 Invited article, special issue on SSNMR of quadrupolar nuclei.
104. M.J. Jaroszewicz, L. Frydman and R.W. Schurko*, 2017. Relaxation-Assisted Separation of Overlapping Patterns in Ultra-Wideline NMR Spectra, J. Phys. Chem A. 121, 51–65. DOI: 10.1021/acs.jpca.6b10007
103. S.L. Veinberg, Z.W. Friedl, A.W. Lindquist, B. Kispal, K.J. Harris, L.A. O’Dell, and R.W. Schurko,* 2016. 14N Solid-State NMR of Amino Acids. ChemPhysChem 17, 4011–4027. DOI: 10.1002/cphc.201600873
102. D.A. Hirsh, A.J. Rossini,* L. Emsley, and R.W. Schurko,* 2016. 35Cl Dynamic Nuclear Polarization Solid-State NMR of Active Pharmaceutical Ingredients. PCCP 18, 25893-25904. DOI: 10.1039/C6CP04353D
101. A.M. Namespetra, D.A. Hirsh, M.P. Hildebrand, A.R. Sandre, H. Hamaed, J.M. Rawson, and R.W. Schurko,* 2016. 35Cl Solid-State NMR Spectroscopy of HCl Pharmaceuticals and their Polymorphs in Bulk and Dosage Forms. Cryst. Eng. Comm. 18, 6213 - 6232 DOI: 10.1039/C6CE01069E
100. S.L. Veinberg, K.E. Johnston, M.J. Jaroszewicz, B.M. Kispal, C.R. Mireault, T. Kobayashi, M. Pruski,* and R.W. Schurko,* 2016. Natural Abundance 14N and 15N Solid-State NMR of Pharmaceuticals and their Polymorphs. PCCP 18, 17713 - 17730. DOI: 10.1039/C6CP02855A
99. N. Farahani, K. Zhu, C.A. O’Keefe, R.W. Schurko,* and S.J. Loeb*, 2016. Thermally Driven Dynamics of a Rotaxane Wheel about an Imidazolium Axle inside a Metal–Organic Framework. ChemPlusChem. 81, 836 – 841 DOI: 10.1002/cplu.201600176
98. E. Prack, C.A. O’Keefe, J. Moore, A. Laia, A.J. Lough, P.M. Macdonald, M.S. Conradi, R.W. Schurko,* and Ulrich Fekl,* 2015. A Molecular Rotor Possessing an H-M-H ‘Spoke’ on a P-M-P ‘Axle’: A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K. J. Am. Chem. Soc. 137, 13464–13467. DOI: 10.1021/jacs.5b08213
97. D.A. Hirsh, N. Johnson, F.J.C.M. van Veggel and R.W. Schurko*, 2015. The Local Structure of Rare-Earth Fluorides in Bulk and Core/Shell Nanocrystalline Materials. Chem. Mater. 27, 6495–6507 DOI: 10.1021/acs.chemmater.5b01986
96. V.N. Vukotic, C.A. O’Keefe, K. Zhu, K.J. Harris, C. To, R.W. Schurko* and S.J. Loeb*, 2015. Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics. J. Am. Chem. Soc. 137, 9643-9651. DOI: 10.1021/jacs.5b04674
95. R.W. Schurko and M.J. Jaroszewicz, 2015. Solid-State NMR of the Light Main Group Metals. In "The Lightest Metals", Encyclopedia of Inorganic and Bioinorganic Chemistry. Timothy P. Hanusa, Ed., John Wiley & Sons, New York, 2015, pp. 117-172. BOOK CHAPTER, Invited article.
94. K. Zhu, C.A. O’Keefe, V.N. Vukotic, R.W. Schurko* and Stephen J. Loeb*, 2015. A Molecular Shuttle that Operates Inside a Metal-Organic Framework. Nature Chem. 7, 514-519. DOI: 10.1038/nchem.2258
93. S.L. Veinberg, Z.W. Friedl, K.J. Harris, L.A. O’Dell and R.W. Schurko*, 2015. Ultra-wideline 14N Solid-State NMR as a Method of Differentiating Polymorphs: Glycine as a Case Study. Cryst. Eng. Comm. 17, 5225 - 5236 Invited article. DOI: 10.1039/C5CE00060B
92. S. Wi*, Z. Gan, R.W. Schurko and L. Frydman*, 2015. Cross-Polarization Phenomena in the NMR of Fast Spinning Solids Subject to Adiabatic Sweeps. J. Chem. Phys. 142, 064201. DOI: 10.1063/1.4907206
91. A.J. Rossini, M.P. Hildebrand, P.A. Hazendonk and R.W. Schurko*, 2014. Multinuclear Solid-State NMR Studies of Polymer Supported Scandium Triflate Catalysts. J. Phys. Chem. C. 118, 22649–22662. DOI: 10.1021/jp507470v
90. C.A. O’Keefe, K.E. Johnston, K. Sutter, J. Autschbach, R. Gauvin, J. Trébosc, L. Delevoye, N. Popoff, M. Taoufik, K. Oudatchin and R.W. Schurko*, 2014. An investigation of chlorine ligands in transition-metal complexes via 35Cl SSNMR and DFT calculations. Inorg. Chem. 53, 9581–9597. DOI:10.1021/ic501004u
89. M.P. Hildebrand, H. Hamaed, A.M. Namespetra, J.M. Donohue, R. Fu, I. Hung, Z. Gan and R.W. Schurko*, 2014. 35Cl solid-state NMR of HCl salts of active pharmaceutical ingredients: structural prediction, spectral fingerprinting and polymorph recognition Cryst. Eng. Comm. 16, 7334 - 7356. DOI:10.1039/C4CE00544A Invited article.
88. K. Zhu, V.N. Vukotic, C.A. O'Keefe, R.W. Schurko* and S.J. Loeb*, 2014. Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change. J. Am. Chem. Soc. 136, 7403–7409. DOI:10.1021/ja502238a
87. B.E.G. Lucier, K.E. Johnston, W. Xu, J.C. Hanson, S.D. Senanayake, S.Yao, M.W. Bourassa, M. Srebro, J. Autschbach and R. W. Schurko*, 2014. Unravelling the Structure of Magnus' Pink Salt. J. Am. Chem. Soc 136, 1333–1351. DOI:10.1021/ja4076277
86. H. Hamaed, K.E. Johnston, B.F.T. Cooper, V.V. Terskikh, E. Ye, C.L.B. Macdonald, D.C. Arnold and R.W. Schurko*, 2014. A 115In Solid-State NMR Study of Low Oxidation-State Indium Complexes. Chem. Sci. 5, 982-995. DOI:10.1039/C3SC52809J
85. B.E.G. Lucier, K.E. Johnston, D.C. Arnold, J.-L. Lemyre, A. Beaupré, M. Blanchette, A.M. Ritcey* and R.W. Schurko*, 2014. Comprehensive Solid-State Characterization of Rare Earth Fluoride Nanoparticles. J. Phys. Chem. C. 118, 1213–1228. DOI:10.1021/jp408148b
84. K.J. Harris, S.L. Veinberg, C.R. Mireault, A. Lupulescu, L. Frydman and R.W. Schurko*, 2013. Rapid Acquisition of 14N Solid-State NMR Spectra Using Broadband Cross Polarization Chem. Eur. J., 19, 16469–16475. DOI:10.1002/chem.201301862
83. K.E. Johnston, C.A. O’Keefe, R.M. Gauvin, J. Trébosc, L.Delevoye, J.-P. Amoureux, N. Popoff, M. Taoufik, K. Oudatchin and R.W. Schurko, 2013. A study of transition-metal organometallic complexes combining 35Cl solid-state NMR, 35Cl NQR and first-principles DFT calculations. Chem. Eur. J. 37, 12396-12414. Highlighted in Wiley’s “Chemistry Views”. DOI: 10.1002/chem.201301268
82. R.W. Schurko, 2013. Ultra-Wideline Solid-State NMR Spectroscopy. Acc. Chem. Res. 46, 1985–1995. DOI: 10.1021/ar400045t , Invited article.
81. A.J. Rossini, A.W. MacGregor, A.S. Smith, G. Schatte, R.W. Schurko* and G.G. Briand*, 2013. Structural Variation in Ethylenediamine and -Diphosphine Adducts of (2,6-Me2C6H3S)2Pb: A Single Crystal X-ray Diffraction and 207Pb Solid- State NMR Spectroscopy Study. Dalton Trans. 42, 9533-9546 DOI: 10.1039/C3DT33070B
80. K.J. Harris, A. Lupulescu, B.E.G. Lucier, L. Frydman* and R.W. Schurko*, 2012. Broadband Adiabatic Inversion Pulses for Cross Polarization in Wideline Solid-State NMR Spectroscopy. J. Magn. Reson. 224, 38-47. http://dx.doi.org/10.1016/j.jmr.2012.08.015
79. V.N. Vukotic, K.J. Harris, K. Zhu, R.W. Schurko* and S.J. Loeb*, 2012. Robust Dynamics inside a Metal-Organic Framework. Nature Chem. 4, 456-460. DOI: 10.1038/nchem.1354
78. C.L.B. Macdonald, R. Bandyopadhyay, B.F.T. Cooper, W.W. Friedl, A.J. Rossini, R.W. Schurko, S.H.; Eichhorn and R. Herber, 2012. Experimental and computational insights into the stabilization of low-valent main group elements using crown ethers and related ligand. J. Am. Chem. Soc. 134, 4332–4345. DOI: 10.1021/ja211135s
77. R.W. Schurko, 2011. Acquisition of Wideline Solid-State NMR Spectra of Quadrupolar Nuclei. Encyc. Magn. Reson. DOI: 10.1002/9780470034590.emrstm1199 (REVIEW ARTICLE)
76. P.B. Chatterjee, O. Goncharov-Zapata, L.L. Quinn, G. Hou, H. Hamaed, R.W. Schurko, T. Polenova* and D.C. Crans*, 2011. Characterization of Noninnocent Metal Complexes Using Solid-State NMR Spectroscopy: o-Dioxolenevanadium Complexes. Inorg. Chem. 50, 9794–9803. DOI: 10.1021/ic200046k.
75. B.F.T. Cooper, H. Hamaed, W.W. Friedl, M.R. Stinchcombe, R.W. Schurko and C.L.B. Macdonald, 2011. “Crowned” Univalent Indium Complexes as Donors? Experimental and Computational Insights on the Valence Isomers of EE′X4 Species. Chem. Eur. J. 17, 6148-6161. DOI: 10.1002/chem.201002946
74. Z.M. Hudson, C. Sun, K.J. Harris, B.E.G. Lucier, R.W. Schurko and S. Wang, 2011. Probing the Structural Origins of Vapochromism of a Triarylboron-Functionalized Pt(II) Acetylide by Optical and Multinuclear Solid-State NMR Spectroscopy. Inorg. Chem. 50, 3447–3457. DOI: 10.1021/ic102349h
73. B.E.G Lucier, A.R. Reidel and R.W. Schurko*, 2011. Multinuclear Solid-State NMR of Square-Planar Platinum Complexes: Cisplatin and Related Systems. Can. J. Chem. 89, 919-937, Invited article, special issue for Prof. Roderick E. Wasylishen. http://dx.doi.org/10.1139/v11-033
72. L.A. O'Dell, K.J. Harris, R.W. Schurko, J. Autschbach, and C.I. Ratcliffe, 2011. Interaction Tensors and Local Dynamics in Common Structural Motifs of Nitrogen: A Solid-state 14N NMR and DFT Study. J. Am. Chem. Soc. 133, 527–546. DOI:10.1021/ja108181y
71. A.W. MacGregor, L.A. O'Dell and R.W. Schurko, 2011. New Methods for the Acquisition of Ultra-Wideline Solid-State NMR Spectra of Spin-1/2 Nuclides. J. Magn. Reson. 208, 103-111. DOI:10.1016/j.jmr.2010.10.011
70. A.J. Rossini, I. Hung, S. Johnson, C. Slebodnick, M. Mensch, P. Deck and R.W. Schurko, 2010. Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors. J. Am. Chem. Soc. 132, 18301–18317. DOI: 10.1021/ja107749b
69. A.J. Rossini, I. Hung and R.W. Schurko, 2010. Solid-State 47/49Ti NMR of Titanocene Chlorides. J. Phys. Chem. Lett. 1, 2989–2998. DOI: 10.1021/jz1012017
68. A.J. Rossini, H. Hamaed and R.W. Schurko, 2010. The Application of Frequency Swept Pulses for the Acquisition of Nuclear Quadrupole Resonance Spectra. J. Magn. Reson. 206, 32-40.
DOI:10.1016/j.jmr.2010.05.01867. H. Hamaed, E. Ye, K. Udachin and R.W. Schurko, 2010. Solid-State 137Ba NMR Spectroscopy: An Experimental and Theoretical Investigation of 137Ba Electric Field Gradient Tensors and Their Relation to Structure and Symmetry. J. Phys. Chem. B. 114, 6014–6022. DOI: 10.1021/jp102026m
66. R. Bandyopadhyay, B.F.T. Cooper, A.J. Rossini, R.W. Schurko and C.L.B. Macdonald, 2010. Crown ether complexes of tin(II) trifluoromethanesulfonate. J. Organomet. Chem. 695, 1012–1018. DOI:10.1016/j.jorganchem.2009.12.023
65. J. Autschbach, S. Zheng and R.W. Schurko, 2010. Analysis of Electric Field Gradient Tensors at Quadrupolar Nuclei in Common Structural Motifs. Conc. Magn. Reson. 36A, 84-126. DOI: 10.1002/cmr.a.20155
64. B.E.G. Lucier, J.A. Tang, R.W. Schurko, G.A. Bowmaker, P.C. Healy and J.V. Hanna, 2010. Solid-State 65Cu and 31P NMR Spectroscopy of Bis(triphenylphosphine) Copper Species. J. Phys. Chem. C. 114, 7949–7962. DOI: 10.1021/jp907477m
63. J.V. Hanna, K.J. Pike, T. Charpentier, T.F. Kemp, M.E. Smith, B.E.G. Lucier, R.W. Schurko and L.S. Cahill, 2010. A 93Nb Solid-State NMR and Density Functional Theory Study of 4- and 6-Coordinate Niobate Systems. Chem. Eur. J. 16, 3222 - 3239. DOI:10.1002/chem.200901581
62. L.A. O’Dell, K.J. Harris and R.W. Schurko, 2010. Optimized Excitation Pulses for the Acquisition of Static NMR Powder Patterns from Half-Integer Quadrupolar Nuclei. J. Magn. Reson. 203, 156-166. DOI:10.1016/j.jmr.2009.12.016
61. M.-H. Thibault, B.E.G. Lucier, R.W. Schurko and F.-G. Fontaine, 2009. Synthesis and Solid-State Characterization of Platinum Complexes with Hexadentate Amino- and Iminophosphine Ligands. Dalton Trans. 2009, 7701 DOI: 10.1039/b907737e
60. L.A. O'Dell and R.W. Schurko, 2009. Static Solid-State 14N NMR and Computational Studies of Nitrogen EFG Tensors in Some Crystalline Amino Acids. Phys. Chem. Chem. Phys. 11, 7069 - 7077. Invited article. DOI: 10.1039/b906114b
59. L.A. O'Dell and R.W. Schurko, 2009. Fast and Simple Acquisition of Solid-State 14N NMR Spectra with Signal Enhancement via Population Transfer. J. Am. Chem. Soc. 131, 6658–6659. DOI: 10.1021/ja901278q
58. H. Hamaed, M.W. Laschuk, V.V. Terskikh and R.W. Schurko, 2009. Application of Solid-State 209Bi NMR to the Structural Characterization of Bismuth-Containing Materials. J. Am. Chem. Soc. 131, 8271–8279 DOI: 10.1021/ja901347k
57. A. Sutrisno, A.Y.H. Lo, J.A. Tang, J.L. Dutton, G.J. Farrar, P.J. Ragogna, S. Zheng, J. Autschbach, and R.W. Schurko, 2009. Experimental and Theoretical Investigations of Selenium Chemical Shielding Tensors in Se-N Heterocycles. Can. J. Chem. 87, 1546–1564 DOI: 10.1139/V09-100`
56. C.M. Widdifield and R.W. Schurko, 2009. Understanding Chemical Shielding Tensors Using Group Theory, MO Analysis and Modern Density-Functional Theory. Conc. Magn. Reson. 34A, 91-123. Invited article. DOI: 10.1002/cmr.a.20136
55. A.J. Rossini, R.W. Mills, G.A. Briscoe, E.L. Norton, S.J. Geier, I. Hung, S. Zheng, J. Autschbach and R.W. Schurko, 2009. Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes. J. Am. Chem. Soc. 131, 3317–3330. DOI: 10.1021/ja808390a
54. L.A. O'Dell, A.J. Rossini and R.W. Schurko, 2009. Acquisition of Ultra-Wideline NMR Spectra from Quadrupolar Nuclei by Frequency-Stepped WURST-QCPMG. Chem. Phys. Lett., 468, 330-335. DOI: 10.1016/j.cplett.2008.12.044
53. J.A. Tang, E. Kogut, D. Norton, A. Lough, B.E. McGarvey, U. Fekl and R.W. Schurko, 2009. The Impact of Reduction on Properties of Metal Bisdithiolenes: Multinuclear Solid-State NMR and Structural Studies on Pt(tfd)2 and its Reduced Forms. J. Phys. Chem. B. 113, 3298–3313. DOI: 10.1021/jp807530d
52. J.A. Tang, L.A. O'Dell, P.M. Aguiar, B.E. Lucier, D. Sakellariou and R.W. Schurko, 2008. Application of Static Microcoils and WURST Pulses for Solid-State Ultra-Wideline NMR Spectroscopy of Quadrupolar Nuclei. Chem. Phys. Lett. 466, 227–234. DOI: 10.1016/j.cplett.2008.10.044
51. H. Hamaed, A.Y.H. Lo, L.J. May, J.M. Taylor, G.H. Shimizu and R.W. Schurko, 2008. Investigation of Silver-Containing Layered Materials and Their Interactions with Primary Amines using Solid-State 109Ag and 15N NMR Spectroscopy and First Principles Calculations. Inorg. Chem. 47, 11245–11256. DOI: 10.1021/ic801549p
50. L.A. O'Dell and R.W. Schurko, 2008. QCPMG Using Adiabatic Pulses for Faster Acquisition of Ultra-Wideline NMR Spectra. Chem. Phys. Lett. 464, 97-102. DOI: 10.1016/j.cplett.2008.08.095
49. H. Hamaed, J.M. Pawlowski, B.F.T. Cooper, R. Fu, S.H. Eichhorn and R.W. Schurko, 2008. Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs. J. Am. Chem. Soc. 130, 11056-11065. DOI: 10.1021/ja802486q
48. J.L. Dutton, A. Sutrisno, R.W. Schurko and P.J. Ragogna, 2008. Synthesis and characterization of cationic selenium-nitrogen heterocycles from tert-butyl-DAB (DAB = 1,4-di-tert-butyl-1,3-diazabutadiene) and SeX4 via the reductive elimination of X2 (X = Cl, Br): A distinct contrast with tellurium. Dalton Trans. 3470 - 3477. DOI: 10.1039/b719779a
47. C.M. Widdifield, J.A. Tang, C.L.B. Macdonald and R.W. Schurko, 2007. Investigation of Structure and Dynamics in the Sodium Metallocenes CpNa and CpNa·THF via Solid-State NMR, X-ray Diffraction and Computational Modelling. Magn. Reson. Chem. 45, S116–S128. Invited paper - Special issue: New techniques in solid-state NMR DOI: 10.1002/mrc.2124
46. J.A. Tang, B.D. Ellis, T.H. Warren, J.V. Hanna, C.L.B. Macdonald, and R.W. Schurko, 2007. Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes. J. Am. Chem. Soc. 129, 13049-13065. DOI: 10.1021/ja073238x
45. G.G. Briand, A.D. Smith, G. Schatte, A.J. Rossini and R.W. Schurko, 2007. Probing Lead(II) Bonding Environments in 4-Substituted Pyridine Adducts of (2,6-Me2C6H3S)2Pb: An X-ray Structural and Solid-State 207Pb NMR Study. Inorg. Chem. 46, 8625-8637. DOI: 10.1021/ic700738w
44. A.Y.H. Lo, J.V. Hanna and R.W. Schurko, 2007. A Theoretical Study of 51V Electric Field Gradient Tensors in Pyrovanadates and Metavanadates. Appl. Magn. Reson. 32, 691-708. Invited paper. DOI: 10.1007/s00723-007-0045-9
43. A.Y.H. Lo, V. Sudarsan, S. Sivakumar, F. van Veggel and R.W. Schurko, 2007. Multinuclear Solid-State NMR Spectroscopy of Doped Lanthanum Fluoride Nanoparticles. J. Am. Chem. Soc. 129, 4687-4700. DOI: 10.1021/ja068604b
42. E. Kogut, J.A. Tang, A.J. Lough, C.M. Widdifield, R.W. Schurko and U. Fekl, 2006. Neutral High-Potential Nickel Triad Bisdithiolenes: Structure and Solid-State NMR Properties of Pt[S2C2(CF3)2]2. Inorg. Chem. 45, 8850-8852. DOI: 10.1021/ic0614972
41. H. Hamaed, A.Y.H. Lo, D.S. Lee, W.J. Evans and R.W. Schurko, 2006. Solid-State 139La and 15N NMR Spectroscopy of Lanthanum-Containing Metallocenes. J. Am. Chem. Soc. 128, 12638-12639. DOI: 10.1021/ja0645180
40. A.J. Rossini and R.W. Schurko, 2006. Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids. J. Am. Chem. Soc., 128, 10391-10402. DOI: 10.1021/ja060477w
39. A.Y.H. Lo, R.W. Schurko, M. Vettraino, B.O. Skadtchenko, M. Trudeau and D.M. Antonelli, 2006. Solid-State 23Na and 7Li NMR Investigations of Sodium- and Lithium-Reduced Mesoporous Titanium Oxides. Inorg. Chem. 45, 1828-1838. DOI: 10.1021/ic051654h
38. J.A. Tang, J.D. Masuda, T.J. Boyle and R.W. Schurko, 2006. Ultra-Wideline 27Al NMR Investigations of Three- and Five-Coordinate Aluminum Environments. ChemPhysChem, 7, 117-130. DOI: 10.1002/cphc.200500343
37. N. Burford, T.S. Cameron, C.L.B. Macdonald, K.N. Robertson, R.W. Schurko, R. McDonald and R.E. Wasylishen, 2005. Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy. Inorg. Chem. 44, 8058-8064. DOI: 10.1021/ic050770h
36. A.Y.H Lo, T.E. Bitterwolf, C.L.B. Macdonald and R.W. Schurko, 2005. Solid-State 93Nb and 13C NMR Investigations of Half-Sandwich Niobium (I) and Niobium (V) Cyclopentadienyl Complexes. J. Phys. Chem. A, 109, 7073-7087. DOI: 10.1021/jp0521499
35. C.M. Widdifield and R.W. Schurko, 2005. A Solid-State 39K and 13C NMR Study of Polymeric Potassium Metallocenes. J. Phys. Chem. A, 109, 6865-6876. DOI: 10.1021/jp058059l
34. B. Jayasekera, S.L. Brock, A.Y.H. Lo, R.W. Schurko and G.A. Nazri, 2005. Solid Solutions of Cu2P3-xAsxI2, 0.6 <= x <= 1.65: Structure-Property Correlations. Chem. Eur. J. 11, 3762-3772. DOI: 10.1002/chem.200400727
33. B. Skadtchenko, M. Trudeau, A.Y.H. Lo, R. W. Schurko and D. M. Antonelli, 2005. Electronic Properties and Solid-State 87Rb and 13C NMR Studies of Mesoporous Tantalum Oxide Rubidium Fulleride Composites. Chem. Mater. 17, 1467-1478. DOI: 10.1021/cm048174t
32. I. Hung, C.L.B. Macdonald and R.W. Schurko, 2004. Structure and Dynamics of Homoleptic Beryllocenes: A Solid-State 9Be and 13C NMR Study. Chem. Eur. J. 10, 5923-5935.
31. I. Hung, A.J. Rossini and R.W. Schurko, 2004. Application of the Carr-Purcell Meiboom-Gill Pulse Sequence for the Acquisition of Solid-State NMR Spectra of Spin-1/2 Nuclei. J. Phys. Chem. A, 108, 7112-7120.
30. I. Hung and R.W. Schurko, 2004. Solid-State 91Zr NMR of Bis(cyclopentadienyl)dichloro Zirconium(IV). J. Phys. Chem. B, 108, 9060-9069.
29. R.W. Schurko, M.J. Willans, B. Skadtchenko and D.M. Antonelli, 2004. Solid-State 23Na and 13C NMR Characterization of Na3C60. J. Solid State Chem. 177, 2255 - 2264.
28. K. Srikanth, R. W. Schurko, I. Hung and A. Ramamoorthy, 2003. Nuclear magnetic resonance studies of metals in solid state non-metallic materials, Mater. Sci. & Technol. 13, 1191 - 1196.
27. B. Skadtchenko, M. Trudeau, R.W. Schurko, M.J. Willans and D.M. Antonelli, 2003. Structural and Spectroscopic Studies on Mesoporous Ta Oxide-Na Fulleride Composites with Conducting Fulleride Columns in the Pores. Adv. Funct. Mater. 13, 671-681. Cover article.
26. R.W. Schurko, I. Hung and C.M. Widdifield, 2003. Signal Enhancement in NMR Spectra of Half-Integer Quadrupolar Nuclei via DFS-QCPMG and RAPT-QCPMG Pulse Sequences. Chem. Phys. Lett. 379, 1-10.
25. I. Hung and R.W. Schurko, 2003. A Solid-State 25Mg and 13C NMR Study of Bis(cyclopentadienyl) magnesium. Solid-State Nucl. Magn. Reson. 24, 78-93. Invited paper.
24. M.J. Willans and R.W. Schurko, 2003. A Solid-State NMR and Ab Initio Study of Sodium Metallocenes. J. Phys. Chem. B. 107, 5144-5161.
23. X. He, A.Y.H. Lo, M.Trudeau, R.W. Schurko and D.M. Antonelli, 2003. Compositional and 2H NMR Studies of Bis-benzene Cr Composites of Mesoporous Vanadium-Niobium Mixed Oxides. Inorg. Chem. 42, 335-347.
22. N. Burford, T.S. Cameron, K.D. Conroy, B. Ellis, C.L.B. Macdonald, R. McDonald, A.D. Phillips, P.J. Ragogna, R.W. Schurko, D. Walsh and R.E. Wasylishen, 2002. Transformations Between Monomeric, Dimeric and Trimeric Phosphazenes: Oligomerising NP Analogues of Olefins. J. Am. Chem. Soc. 124, 14012-14013.
21. R.W. Schurko, I. Hung, C.L.B. Macdonald and A.H. Cowley, 2002. Anisotropic NMR Interaction Tensors in the Decamethylaluminocenium Cation. J. Am. Chem. Soc. 124, 13204-13214.
20. R.W. Schurko, I. Hung, S. Schauff, C.L.B. Macdonald and A.H. Cowley, 2002. Anisotropic 11B and 13C NMR Interaction Tensors in Decamethylcyclopentadienyl Boron Complexes. J. Phys. Chem. A. 106, 10096-10107.
19. M. Vettraino, M. Trudeau, A. Y. H. Lo, R. W. Schurko and David Antonelli, 2002. Room Temperature Ammonia Formation from Dinitrogen on a Reduced Mesoporous Titanium Oxide Surface with Metallic Properties. J. Am. Chem. Soc. 124, 9567-9573.
18. L.-S. Du, R.W. Schurko and C.P. Grey, 2002. A Solid-State 93Nb and 19F NMR Study of Niobium Oxyfluorides: Characterization of Local Distortions and Oxygen/Fluorine Ordering. J. Phys. Chem. A. 106, 7876-7886.
17. S. Courtenay, J.Y. Mutus, R.W. Schurko and D.W. Stephan, 2002. The Extended Borinium Cation:[(t-Bu3PN)2B]+. Angew. Chem. Int. Ed. Engl. (Hot Paper) 41, 498-501.
16. R.W. Schurko, S. Wi and L. Frydman, 2002. Dynamic Effects on the Powder Line Shapes of Half-Integer Quadrupolar Nuclei: A Solid State NMR Study of XO4 Groups. J. Phys. Chem. A. 106, 51-62.
15. L.-S. Du, R.W. Schurko, K.H. Lim and C.P. Grey, 2001. A Solid-State 93Nb and 19F NMR Spectroscopy and X-ray Diffraction Study of Potassium Heptafluoroniobate(V): Characterization of 93Nb, z19F Coupling and Fluorine Motion. J. Phys. Chem. A, 105, 760-768.
14. R.W. Schurko and R.E. Wasylishen, 2000. Nitrogen-15 NMR Study of Solid Cobaloximes Containing 15N-labelled Pyridine and Aniline, J. Phys. Chem. A. 104, 3410-3420.
13. R.W. Schurko, R.E. Wasylishen, S.J. Moore, L.G. Marzilli and J.H. Nelson, 1999. Solid-State Phosphorus-31 NMR Study of Phosphine- and Phosphite-Substituted Cobaloximes, Can. J. Chem. 77, 1973-1983.
12. R.W. Schurko, R.E. Wasylishen and Hans Foerster, 1998. Characterization of Anisotropic Aluminum Magnetic Shielding Tensors. Distorted Octahedral Complexes and Linear Molecules, J. Phys. Chem. A 102, 9750-9760.
11. R.W. Schurko, R.E. Wasylishen and A.D. Phillips, 1998. A Definitive Example of Aluminum-27 Chemical Shielding Anisotropy, J. Magn. Reson. 133, 388-394.
10. N. Burford, A. D. Phillips, R.W. Schurko, R.E. Wasylishen and J.F. Richardson, 1997. Isolation and comprehensive solid-state characterization of Cl3Al-O-PCl3, J. Chem. Soc. Chem. Commun., 2363-2364.
9. K. Eichele, R.E. Wasylishen, R.W. Schurko, N. Burford and W.A. Whitla, 1996. An Unusually Large Value of 1J(31P,31P) for a Solid Triphenyl-phosphine Phosphoazonium Cationic Complex: Determination of the Sign of J from 2D Spin-Echo Experiments, Can. J. Chem. 74, 2372-2377.
8. R.W. Schurko, R.E. Wasylishen and J.H. Nelson, 1996. The Effect of Cobalt-59 Self-Decoupling on the Solid State 31P CP/MAS NMR Spectra of Cobaloximes, J. Phys. Chem. 100, 8057-8060.
7. G.M. Bernard and R.W. Schurko, 1995. Long-range 37Cl/35Cl and 81Br/79Br isotope shifts in 19F NMR of fluorobenzenes, Magn. Reson. Chem. 33, 879-882.
6. T. Schaefer, R.W. Schurko, R. Sebastian, and F.E. Hruska, 1995. Experimental and theoretical estimates of the substituent and medium dependence of the internal rotational potentials in benzyl fluoride, 3,5-difluorobenzyl fluoride and 4-fluorobenzyl fluoride, Can. J. Chem. 73, 816-825.
5. T. Schaefer, W.K. Chan, R. Sebastian, R.W. Schurko and F.E. Hruska, 1994. Concerning the internal rotational barrier and the experimental and theoretical nJ(13C,13C) and nJ(1H,13C) in ethylbenzene-b-13C, Can. J. Chem., 72, 1972-1977.
4. T. Schaefer, J.P. Kunkel, R.W. Schurko and G.M. Bernard, 1994. A precise analysis of the 1H NMR spectrum of 2-phenyl-1,3-dithiane - ring pucker, signs of long range J(H,H), internal rotational barrier and van der Waal's shifts, Can. J. Chem., 72, 1722-1727.
3. T. Schaefer, R.W. Schurko and G.M. Bernard, 1994. Does the Csp2-Csp3 barrier in ethylbenzene have a hyperconjugative component? An indirect experimental and theoretical approach, Can. J. Chem., 72, 1780-1784.
2. T. Schaefer, R. Sebastian, R.W. Schurko and F.E. Hruska, 1993. 1H and 13C nuclear magnetic resonance studies of the conformational equilibrium of 2-(diphenyl-phosphino)benzaldehyde in polar and nonpolar solutions. Signs of the proximate coupling constants, 4J(CHO,31P) and 3J(13CHO, 31P), Can. J. Chem., 71, 1384-1393 (Undergraduate work).
1. T. Schaefer, R. Sebastian and R.W. Schurko, 1992. 1H NMR and molecular orbital estimates of the internal rotational barrier in phenylpropynal in solution and in the vapour, Can. J. Chem., 70, 2365-2369 (Undergrad. work).