Theoretical Study of Dehydrogenation Effects upon the First Hyperpolarizability of Polyphosphinoborane
โ Scribed by Jacquemin, Denis
- Book ID
- 120379659
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 96 KB
- Volume
- 108
- Category
- Article
- ISSN
- 1089-5639
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## Calcuht~onsarc made of the hypcrpolaruabdlty conwburlon to the clcctrlc-f?rld~r~drrnt-InduL~d brrcfrmbcncc which IS used IO mcxure the quadrupolc moments of nondmolar molecules It IS concluded 11~11 h) pcrpol.wzabdlry A%ccs arc small for most, but not A. molecules
An approximate molecular orbital theoretical calculation of the solvent modulation of the frequency-dependent first hyperpolarizability fl(to) of/r-dimethylaminobenzonitrile (DMABN) shows a significant solvent polarity effect, especially in the low dielectric constant (~) region. The zero-frequency