✦ LIBER ✦

Non-additivity of OH frequency shifts in ion-water systems

✍ Scribed by Kersti Hermansson; Jan Lindgren; Michael M. Probst

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 451 KB
Volume: 233
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01457-7

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✦ Synopsis

The intramolecular OH stretching frequency shift observed for water on formation of 'cation-water ..H-bond acceptor' complexes is highly non-additive. The uncoupled OH frequency shift has been calculated by ab initio methods for q + -OH* and OH,...q complexes of different geometries and for a series of Mg*+ (H,O); .. (H,O),, complexes, and we argue that the non-additivity (cooperativity) of the frequency shifts is largely a consequence of the parabolic shape of the frequency versus electric field curves.

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