Gangopadhyay, Palas ; Ravi, M. ; Radhakrishnan, T. P. (2000) Hyperpolarisability-molecular twist correlation in diaminodicyanoquinodimethanes Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 39 . pp. 106-113. ISSN 0376-4710
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Abstract
Semiempirical quantum chemical calculations are carried out on the class of diaminodicyanoquinodimethanes. The calculated first hyperpolarisabilities of these molecules manifest a close correlation with the twist angle between the diaminomethylene unit and the aromatic ring. The correlation follows earlier model calculations on a prototypical molecule and can be qualitatively explained on the basis of the well-known two-level approximation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to National Institute of Science Communication and Information Resources. |
| ID Code: | 78445 |
| Deposited On: | 19 Jan 2012 12:06 |
| Last Modified: | 19 Jan 2012 12:06 |
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