Rao, C. N. R. ; Murthy, A. S. N. (1971) Hydrogen bonding in electronically excited states of molecules Theoretica Chimica Acta, 22 (4). pp. 392-395. ISSN 0040-5744
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Official URL: http://www.springerlink.com/content/x85585123v7662...
Related URL: http://dx.doi.org/10.1007/BF01307709
Abstract
CNDO/2 calculations show that hydrogen bonds in the electronically excited states of >C=O+H2O and >C=O+HOCH3 systems are slightly weaker than in the ground states. The n→π∗ transition energies as well as solvent blue-shifts are predicted fairly satisfactorily.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer. |
| ID Code: | 44682 |
| Deposited On: | 22 Jun 2011 14:26 |
| Last Modified: | 22 Jun 2011 14:26 |
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