Structure of the hydrogen-bonded water molecule in crystals

Chidambaram, R (1962) Structure of the hydrogen-bonded water molecule in crystals. In: The Journal of Chemical Physics, 36 (9). pp. 2361-2365.

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Abstract

A correlation of the structural data on IS 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:	Journal Article
Publication:	The Journal of Chemical Physics
Publisher:	American Institute of Physics
Additional Information:	Copyright of this article belongs to American Institute of Physics.
Department/Centre:	Division of Physical & Mathematical Sciences > Physics
Date Deposited:	02 Jun 2010 04:55
Last Modified:	19 Sep 2010 06:08
URI:	http://eprints.iisc.ac.in/id/eprint/28241

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