Abstract
In this paper, we further study on the relation between the first hyperpolarizability and molecular configuration based on the three-coupled-oscillator model proposed by us. The model is suitable for chiral molecules with the tripod-like structure. We numerically simulate the spectra of first hyperpolarizabilities, and investigate the effects of molecular chiral parameters and coupling coefficients on the hyperpolarizabilities. As an example, we show a calculation of the first-hyperpolarizability spectra for NPAN molecules, which accord well with the experimental result obtained by Barzoukas et al. [M. Barzoukas, D. Josse, P. Fremaux, J. Zyss, J. Opt. Soc. Am. B 4 (1987) 977-986].
| Original language | English |
|---|---|
| Pages (from-to) | 37-44 |
| Number of pages | 8 |
| Journal | Chemical Physics |
| Volume | 320 |
| Issue number | 1 |
| DOIs | |
| State | Published - 15 Dec 2005 |
Keywords
- Hyperpolarizabilities
- Molecular chirality
- Second-order optical nonlinearity
- Three-coupled-oscillator model
- Tripod-like molecular structure
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