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 |
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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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