Citation: Ting Jun HOU, You Yong LI, Yuan Kang HE, Hui Ying CHEN, Xiao Jie XU. Substituents Effect on the Optical Properties of Benzonitrile and Oligobenzonitriles[J]. Chinese Chemical Letters, ;2000, 11(8): 693-696. shu

Substituents Effect on the Optical Properties of Benzonitrile and Oligobenzonitriles

College of Chemistry and Molecular Engineering, Peking University, Beijing 100871

Received Date: 21 February 2000

Fund Project: This project is supported by the National Natural Science Foundation of China (NSFC) 29992590-2 and 29573095.

The semiempirical calculations were performed to discuss the effects of different substituents on the optical properties of a series of substituted benzonitriles and their corresponding oligomers. The substituents located in para, meta and ortho-position of the benzenoid ring involve a large range of δ-π electron-donor-acceptor capability. Theoretical analysis shows that the optical property is affected by the steric and electronic characteristics of the substituents on the benzenoid ring, moreover, the third-order polarizability regularly varies with the polymerization degrees.
- Benzonitrile derivatives,
- oligomer,
- semiempirical calculation,
- ZINDO
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