引用本文:
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.
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.
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.
Substituents Effect on the Optical Properties of Benzonitrile and Oligobenzonitriles
摘要:
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.
English
Substituents Effect on the Optical Properties of Benzonitrile and Oligobenzonitriles
Abstract:
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.
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Key words:
- Benzonitrile derivatives
- / oligomer
- / semiempirical calculation
- / ZINDO
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