Pressure variation of the O-H bond length in O-H---O hydrogen bonds

Sikka, S. K. (1997) Pressure variation of the O-H bond length in O-H---O hydrogen bonds Current Science, 73 (2). pp. 195-197. ISSN 0011-3891

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Abstract

Recent neutron diffraction studies have shown that O-H bond lengths do not show the same variation under pressure as given by the well-known empirical relationship between O-H and O-H---O bond distances. In this paper, we describe a modification to include pressure effects in an earlier potential function for isolated hydrogen bonds and examine the inverse co-relation between 0-0 and O-H---O distances. This modification takes into account the repulsive stresses caused by other atoms which come close to the hydrogen bond on compression. How­ ever, this produces only small differences in O-H values from the unmodified ones and therefore the results indicate that there may be systematic errors present in the experimental powder neutron diffraction values of O-H distances measured under pressure.

Item Type:Article
Source:Copyright of this article belongs to Current Science Association.
ID Code:88235
Deposited On:04 Jul 2012 03:13
Last Modified:19 May 2016 03:12

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