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dc.contributor.advisorFord, T. A.
dc.contributor.advisorLetcher, Trevor M.
dc.creatorBricknell, Bradley Colin.
dc.date.accessioned2011-12-21T08:12:53Z
dc.date.available2011-12-21T08:12:53Z
dc.date.created1995
dc.date.issued1995
dc.identifier.urihttp://hdl.handle.net/10413/4678
dc.descriptionThesis (Ph.D.)-University of Natal, Durban, 1995en
dc.description.abstractThe theoretical and experimental work in this thesis is primarily aimed at i) the quantification of the strengths of a number of hydrogen bonded systems, and ii) exploring the relationships that exist between the various physico-chemical properties determined in this study, which are related to the hydrogen bonding phenomenon. To this end a three part study of some hydrogen bonded systems has been undertaken. The study involves using a number of theoretical and experimental procedures, including a theoretical ab initio molecular orbital study, infrared spectroscopic determinations and a thermodynamic investigation involving measuring enthalpies and volumes of mixing and applying a theoretical model of interacting liquid mixtures. Conclusions based on ab initio molecular orbital theory, thermodynamic and infrared spectroscopic results conducted in this work include: i) the proton donating ability of the three hydrogen donor moieties studied in this work decreases in the order O-H > N-H ~ S-H, ii) the proton accepting competence of the three electron donor atoms considered in this work decreases in the order N > 0 > S in all cases except in the liquid phase systems involving dipropylamine and propane-1-thiol as proton donors, where the proton accepting ability of the atoms is in the opposite order i.e. S > 0 > N, and iii) a direct correlation exists between the shift in the A-H stretching wavenumber and the hydrogen bond interaction energy. . Although a number of factors influence the stability of the hydrogen bond, it was also tentatively concluded that in liquid phase systems involving weakly self-associated hydrogen bond donor molecules, the available surface area of the proton accepting atom becomes the dominant strength determining factor, otherwise factors such as basicity and electronegativity dominate.en
dc.language.isoenen
dc.subjectHydrogen bonding.en
dc.subjectTheses--Chemistry.en
dc.titleExperimental and theoretical studies of hydrogen bonding.en
dc.typeThesisen


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