Wasylishen, Roderick E. - University of Alberta

研究领域

NMR spectroscopy is one of the most important and versatile techniques for characterizing the structure and dynamics of molecules. Traditionally, high-resolution NMR studies have been confined to isotropic liquid samples because solids are thought to yield broad featureless NMR spectra. Over the past twenty years, several ingenious experimental techniques have been devised to eliminate the line-width problem. There are many advantages to using NMR to investigate solid materials and much of our research has involved developing and exploring applications of these techniques. We have been particularly interested in measuring the orientation dependence of the NMR chemical shifts, spin-spin coupling constants and quadrupolar coupling constants using a variety of techniques such as single-crystal NMR spectroscopy. In addition to experimentally measuring these fundamental NMR parameters, their interpretation in terms of electronic and molecular structure has been of considerable interest. Typically, our experimental data are complemented by state-of-the-art ab-initio molecular orbital calculations. The goal of this research is to obtain a better understanding of magnetic shielding, spin-spin coupling and electric field gradient tensors. Other interests include development of new solid-state NMR techniques, e.g., pulse programs designed to enhance the NMR signal of the central transition of half-integer quadrupolar nuclei and techniques to allow the analysis of complex NMR spectra. We are also using the highest magnetic fields available (i.e., 21.14 T) for NMR studies to investigate important quadrupolar nuclei with small magnetic moments, such as 25Mg, 35/37Cl, 53Cr, 55Mn, 91Zr,95Mo and 115In. We tackle a diverse range of solid materials including paramagnetic systems, surfaces and porous materials. Using spin-exchange optical pumping techniques which utilize a 60 watt diode laser system, 129Xe nuclear spin population enhancements of approximately 104 are being realized. This makes 129Xe NMR an ideal technique for investigating the latter materials. With our 1H micro-imaging accessory, we have also investigated water management in operating fuel cells and are seeking to expand our imaging capabilities to other systems and nuclei.

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A. Faucher, V.V. Terskikh and R.E. Wasylishen. "Assessing Distortion of the AF6- (A = As, Sb) Octahedra in Solid Hexafluorometallates(V) via NMR Spectroscopy." Can. J. Chem. 2015, DOI: 10.1139/cjc-2015-0082. L.N. Soucémarianadin, S.A. Quideau, M.D. MacKenzie, A.D. Munson, J. Boiffin, G.M. Bernard and R.E. Wasylishen. "Total and Pyrogenic Carbon Stocks in Black Spruce Forest Floors From Eastern Canada." Org. Geochem. 2015, 82 1-11. DOI: 10.1016/j.orggeochem.2015.02.004. A. Faucher, V.V. Terskikh and R.E. Wasylishen. "Feasibility of Arsenic and Antimony NMR Spectroscopy in Solids: An Investigation of Some Group 15 Compounds." Solid State Nucl. Magn. Reson. 2014, 61-62, 54-61. DOI: 10.1016/j.ssnmr.2014.05.005. C.M. Preston, C.E. Norris, G.M. Bernard, D.W. Beilman, S.A. Quideau and R.E. Wasylishen. "Carbon and Nitrogen in the Silt-Size Fraction and its HCl-Hydrolysis Residues from Coarse-Textured Canadian Boreal Forest Soils." Can. J. Soil Sci. 2014, 94, 157-168. DOI: 10.4141/CJSS2013-082. Md. H. Mobarok, E.J. Luber, G.M. Bernard, P. Li, R.E. Wasylishen and J.M. Buriak. "Phase-Pure Crystalline Zinc Phosphide Nanoparticles: Synthetic Approaches and Characterization." Chem. Mater. 2014, 26, 1925-1935. DOI: 10.1021/cm500557f. P. Garbacz, V.V. Terskikh, M.J. Ferguson, G.M. Bernard, M. Kędziorek and R.E. Wasylishen. "Experimental Characterization of the Hydride 1H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies." J. Phys. Chem. A, 2014, 118, 1203-1212. DOI: 10.1021/jp411378j. L.N. Soucémarianadin, S.A. Quideau, D.M. MacKenzie, G.M. Bernard and R.E. Wasylishen. "Laboratory Charring Conditions Affect Black Carbon Properties: A Case Study From Quebec Black Spruce Forests." Org. Geochem. 2013, 62, 46-55. DOI: 10.1016/j.orggeochem.2013.07.005. A. Brown and R.E. Wasylishen. "Hyperfine Constants for Aluminum Hydride and Aluminum Deuteride." J. Molec. Spectrosc. 2013, 292, 8-14. DOI: 10.1016/j.jms.2013.08.003. S.A. Quideau, C.E. Norris, L.N. Soucémarianadin and R.E. Wasylishen. "Forest Ecology and Soils." eMagRes, 2013, 2, 597-608. DOI: 10.1002/9780470034590.emrstm1339 M. Wang, M.T. Tyree and R.E. Wasylishen. "Magnetic Resonance Imaging of Water Ascent in Embolized Xylem Vessels of Grapevine Stem Segments." Can. J. Plant Sci. 2013, 93, DOI: 10.4141/CJPS2013-025. F. Chen, G. Ma, G.M. Bernard, R.E. Wasylishen, R.G. Cavell, R. McDonald and M.J. Ferguson. "An Investigation of 1:1 Adducts of Gallium Trihalides with Triarylphosphines by Solid-State 69/71Ga and 31P NMR Spectroscopy." Chem. Eur. J. 2013, 19, 2826 - 2838. DOI: 10.1002/chem.201202954. Y. Zhao, T. Luu, G.M. Bernard, T. Taerum, R. McDonald, R.E. Wasylishen and R.R. Tykwinski. "Synthesis, Characterization, and Solid-State Polymerization of Cross-Conjugated Octatetraynes." Can. J. Chem. 2012, 90, 994-1014. DOI: 10.1139/V2012-075. B.C. Feland, G.M. Bernard and R.E. Wasylishen. "A Solid-State NMR Investigation of the Colossal Expansion Material, Ag3Co(CN)6." Can. J. Chem. 2012, 90, 891-901. DOI: 10.1139/V2012-072. P. Garbacz, K. Jackowski, W. Makulski and R.E. Wasylishen. "Nuclear Magnetic Shielding for Hydrogen in Selected Isolated Molecules." J. Phys. Chem. A, 2012, 116, 11896-11904. DOI: 10.1021/jp309820v. C.E. Norris, S.A. Quideau, S.M. Landhäusser, G.M. Bernard and R.E. Wasylishen. "Tracking Stable Isotope Enrichment in Tree Seedlings with Solid-State NMR Spectroscopy." Sci. Rep. 2012, 2, 719/1-5. DOI: 10.1038/srep00719. A. Brown and R.E. Wasylishen. "Nuclear Quadrupole Coupling Constants for N2O: Experiment and Theory." J. Phys. Chem. A, 2012, 116, 9769-9776. DOI: 10.1021/jp306213n. D.L. Bryce and R.E. Wasylishen. Quadrupolar Nuclei in Solids: Influence of Different Interactions on Spectra. In NMR of Quadrupolar Nuclei in Solid Materials. R.E. Wasylishen, S. Ashbrook and S. Wimperis, Eds.; John Wiley & Sons, Chichester; 2012, Chapter 4. T.T. Nakashima and R.E. Wasylishen. Sensitivity and Resolution Enhancement of Quadrupolar Nuclei in Solid-State NMR. In NMR of Quadrupolar Nuclei in Solid Materials. R.E. Wasylishen, S. Ashbrook and S. Wimperis, Eds.; John Wiley & Sons, Chichester; 2012, Chapter 6. Y. Liu, F. Chen, R.E. Wasylishen, Z. Xu, J. Sawada and S.M. Kuznicki. "A Study of Silver Species on Silver-Exchanged ETS-10 and Mordenite by XRD, SEM and Solid-State 109Ag, 29Si and 27Al NMR Spectroscopy." J. Nanosci. Nanotechnol. 2012, 12, 6420-6427. F. Chen, Y. Liu, R.E. Wasylishen, Z. Xu and S.M. Kuznicki. "Solid-State NMR and TGA Studies of Silver Reduction in Chabazite." J. Nanosci. Nanotechnol. 2012, 12, 1988-1993.