Item – Theses Canada

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OCLC number
612694818
Link(s) to full text
LAC copy
LAC copy
Author
Webber, Renee.
Title
A deuterium NMR and quantum chemical investigation of hydrogen bonding in organic solids.
Degree
M. Sc. -- University of Guelph, 2007
Publisher
Ottawa : Library and Archives Canada = Bibliothèque et Archives Canada, [2008]
Description
2 microfiches
Notes
Includes bibliographical references.
Abstract
This thesis reports an investigation of hydrogen bonding in organic solids using solid-state 2H nuclear magnetic resonance and quantum chemical calculations. NMR measurements of deuterium chemical shifts ([delta]), nuclear quadrupolar coupling constants ([chi]) and asymmetry parameters ([eta] Q) have been performed on a variety of samples. For the first time, a C-H···O hydrogen bond has been investigated using solid state NMR spectroscopy. Existence of the C-H···O hydrogen bond has been demonstrated by comparing the values of [delta], [Delta][delta], [chi], [eta] Q for the uncomplexed triphenylsilyl acetylene with the values for the triphenylsilyl acetylene-triphenylphosphine oxide. Samples containing two distinct hydrogen bonding situations have also been investigated; in most cases spectral resolution of the two separate spinning sideband manifolds has been achieved. Using the values of [delta], [chi] and [eta]Q the relative strengths of the two hydrogen bonds have been inferred. Calculations have been performed and the values compare favourably with experimental results.
ISBN
9780494339251
049433925X