Structure of the hydrogen-bonded water molecule in crystals

Chidambaram, R. (1962) Structure of the hydrogen-bonded water molecule in crystals Journal of Chemical Physics, 36 (9). No pp. given. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v36/i9/p2361_...

Related URL: http://dx.doi.org/10.1063/1.1732889

Abstract

A correlation of the structural data on 15 hydrates obtained by x-ray diffraction, neutron diffraction, and proton magnetic resonance reveals that when a water molecule is hydrogen bonded into a crystal structure and the angle subtended at the donor water oxygen by the acceptor atoms deviates from the vapor H-O-H angle, bent hydrogen bonds are formed in preference to distortion of the H-O-H angle. Theoretical justification for this result is obtained from energy considerations by calculating the energy of formation of bent hydrogen bonds on the basis of the Lippincott-Schroeder potential function model for the hydrogen bond and the energy of deformation of the H-O-H angle from spectroscopic force constants.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:86204
Deposited On:08 Mar 2012 11:20
Last Modified:08 Mar 2012 11:20

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