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Permanent link (DOI): https://doi.org/10.7939/R31429

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Investigating the 197Au-31P spin-spin coupling interactions in gold-phosphine halides using solid-state nuclear magnetic resonance, spectral simulations, and quantum chemistry computations Open Access

Descriptions

Other title
Subject/Keyword
Nuclear magnetic resonance spectroscopy
Nuclear magnetic resonance
Type of item
Thesis
Degree grantor
University of Alberta
Author or creator
Dwan, Jerrod Ryan
Supervisor and department
Wasylishen, Roderick (Chemistry)
Examining committee member and department
Klobukowski, Mariusz (Chemistry)
Szymanksi, Christine (Biological Sciences)
Department
Department of Chemistry
Specialization

Date accepted
2011-01-12T17:29:43Z
Graduation date
2011-06
Degree
Master of Science
Degree level
Master's
Abstract
Phosphorus-31 nuclear magnetic resonance spectroscopy with magic angle spinning was used to characterize 197Au-31P spin-spin coupling interactions in solid gold-phosphine halides and the spectra have been analyzed using perturbation theory. The 197Au nucleus has a natural abundance of 100%, a spin of 3/2, and one of the smallest nuclear magnetic moments of all spin-active nuclei. Gold-197 has a very large nuclear quadrupole moment that leads to 197Au nuclear quadrupolar coupling constants of approximately 1 GHz, and thus the Zeeman interaction for 197Au is a perturbation on the quadrupolar interaction. The indirect spin-spin coupling constants, 1J(197Au,31P), extracted from our experiments are compared with those calculated using quantum chemistry computations. The calculations show that the Fermi-contact mechanism is the most important spin-spin coupling mechanism. Anisotropy in the 197Au-31P spin-spin coupling was shown to arise from the spin-dipolar Fermi-contact cross-term, and that its magnitude is on the same order as 1J(197Au,31P)iso.
Language
English
DOI
doi:10.7939/R31429
Rights
Permission is hereby granted to the University of Alberta Libraries to reproduce single copies of this thesis and to lend or sell such copies for private, scholarly or scientific research purposes only. Where the thesis is converted to, or otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of these terms. The author reserves all other publication and other rights in association with the copyright in the thesis and, except as herein before provided, neither the thesis nor any substantial portion thereof may be printed or otherwise reproduced in any material form whatsoever without the author's prior written permission.
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