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中文摘要：
应用无辐射跃迁理论,结合密度泛函理论,研究了共轭多烯体系光物理性质随共轭长度变化的规律.结果表明,辐射跃迁速率与共轭长度几乎无关,但无辐射跃迁速率随链长而增加.这是因为当共轭链增长时,振子强度增加,跃迁能减小,从而对辐射跃迁速率相抵消,而在无辐射跃迁过程中,能隙规则起到主导作用.
英文摘要：
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.
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