A Theoretical Study of the Nonlinear Optical Second-Order Susceptibilities of Push-Pull Polyenes──Carotenoids

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (4): 587.

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A Theoretical Study of the Nonlinear Optical Second-Order Susceptibilities of Push-Pull Polyenes──Carotenoids

LI Jun¹, FENG Ji-Kang¹, LI Tie-Jin¹, SUN Jia-Zhong²

1. Department of Chemistry, Jilin University, Changchun, 130023;
2. Institute of Theoretical Chemistry, Jilin University, Changchun

Received:1993-06-19 Revised:1993-11-10 Online:1994-04-24 Published:1994-04-24

Abstract

Abstract: On the basis of INDO/CI method,using sum-over-state formula, the nonlinear optical second-order susceptibilities β_ijk,β_μ,β₀ of push-pull polyenes──carotenoids have been calculated.The conjugated molecular chain length dependence of β₀ has been studied,in the range of our research β₀ varies as the 2.2 power of the length.Two kinds of substituent series have been studied too, the calculated results illustrate that the acceptor (这里有图片19940432-584-4.gif) is superior to (这里有图片19940432-587-5.gif).

Key words: Carotenoids, Nonlinear optical second-order susceptibilities, Excited states

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LI Jun, FENG Ji-Kang, LI Tie-Jin, SUN Jia-Zhong. A Theoretical Study of the Nonlinear Optical Second-Order Susceptibilities of Push-Pull Polyenes──Carotenoids[J]. Chem. J. Chinese Universities, 1994, 15(4): 587.

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A Theoretical Study of the Nonlinear Optical Second-Order Susceptibilities of Push-Pull Polyenes──Carotenoids

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