Shivaglal, M. C. ; Brakaspathy, R. ; Singh, Surjit (1988) Effect of cooperativity on the O-H stretching force constant in associated water species Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (5). pp. 413-424. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/j_archive/chemsci/100/4/413-4...
Related URL: http://dx.doi.org/10.1007/BF02840580
Abstract
CNDO/force calculations have been employed to calculate the O-H stretching force constants for various structures of associated water species such as water-dimethylether, water-acetonitrile, water-lithium fluoride, linear and cyclic water polymers. The variation in the O-H stretching force constant in Am...O-H...Dn species where Am and Dn represent, respectively,m number of electron-acceptor andn number of electron-donor molecules, is explained on the basis of the cooperativity effect. With increasing electron-acceptor power of A and electron-donor power of D, the hydrogen-bonded O-H stretching force constant is significantly reduced. The results obtained in these studies are in general agreement with experimental observations reported earlier.
Item Type: | Article |
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Source: | Copyright of this article belongs to Indian Academy of Sciences. |
Keywords: | CNDO/Force; Force Constant; Associated Water Species; Cooperativity Effect |
ID Code: | 39177 |
Deposited On: | 09 May 2011 10:16 |
Last Modified: | 17 May 2016 21:43 |
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