Effect of Polyene Chain Length on the Photophysical Properties in Diphenpolyenes

Chem. J. Chinese Universities

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Effect of Polyene Chain Length on the Photophysical Properties in Diphenpolyenes

PENG Qian1, NIU Ying-Li1, SHUAI Zhi-Gang1,2*

1. Institute of Chemistry Chinese Academy of Sciences, Beijing 100190, China; 2. Department of Chemistry, Tsinghua University, Beijing 100084, China

Received:2008-10-06 Revised:1900-01-01 Online:2008-12-10 Published:2008-12-10
Contact: SHUAI Zhi-Gang

Abstract

Abstract: By employing our nonradiative decay rate process coupled with time-dependent Density functional theory(DFT) calculations, we investigate theoretically the conjugation length effects on both the radiative and the non-radiative decay rates for diphenyl-polyenes. We find that the radiative transition rate constants hardly vary with the chain length because of the trade-off between the reduction of energy gap and the enhancement of oscillator strengths, but the non-radiative transition rate increases steadily indicating that the energy gap law governs.

Key words: Diphenpolyene, Electronic structure, Conjugation length effect, Photophysical property, Non-radiative decay rate

CLC Number:

O641

TrendMD:

PENG Qian1, NIU Ying-Li1, SHUAI Zhi-Gang1,2*. Effect of Polyene Chain Length on the Photophysical Properties in Diphenpolyenes[J]. Chem. J. Chinese Universities, doi: .

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Effect of Polyene Chain Length on the Photophysical Properties in Diphenpolyenes

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