Abstract
A method has been developed for determining oscillation amplitudes for subunits HA in the hydrogen-bonded dimers B⋯HA, where HA = HCN, HCl or HBr and B is one of a series of molecules, from analysis of the nuclear quadrupole hyperfine structure arising from a nucleus in HA. The amplitudes have been used to obtain the force constants kββ governing the oscillation of the HA subunit and the corresponding hydrogen-bond bending wavenumbers B. The results for the series B⋯HC14N are as follows: [graphic omitted] Similar results are presented for the series B⋯H35Cl and B⋯H79Br.
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Schedule a callMore From: Journal of the Chemical Society, Faraday Transactions 2
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