Ravi, M. ; Radhakrishnan, T. P. (1995) Analysis of the large hyperpolarizabilities of push-pull quinonoid molecules Journal of Physical Chemistry, 99 (49). pp. 17624-17627. ISSN 0022-3654
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Official URL: http://pubs.acs.org/doi/abs/10.1021/j100049a023
Related URL: http://dx.doi.org/10.1021/j100049a023
Abstract
Donor-acceptor substituted quinonoid molecules have been investigated very tittle in connection with nonlinear optical (NLO) applications. We present a theoretical analysis of the hyperpolarizability, β, of a model push-pull quincnold molecule as a function of the quinonoid-benzenoid character (QBC). β is found to be quite large at all geometries except the quinonoid extreme; it results from appreciable contributions from a large number of excited states.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 65917 |
| Deposited On: | 19 Oct 2011 14:23 |
| Last Modified: | 19 Oct 2011 14:23 |
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