从溶剂变色位移数据估计酞菁锌的基态和激发态偶极矩

A. Ogunsipe
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引用次数: 0

摘要

本文提出了用溶剂致变色法测定酞菁锌(ZnPc)基态和激发态偶极矩的半经验方法。ZnPc的激发态和基态偶极矩之比()由Bakshiev方程和Kawski-Chamma-Viallet方程相结合估计,而激发态和基态偶极矩之差(Dm)则由分子微观溶剂极性参数()以及各种溶剂中的Stokes位移(D²)估计。ZnPc的偶极矩在激发态(me = 3.12 D)明显高于基态(mg = 1.50 D),其激发态的电荷分离明显大于基态。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A semi-empirical estimation of ground and excited state dipole moments of zinc phthalocyanine from solvatochromic shift data
A semi-empirical determination of ground and excited state dipole moments of zinc phthalocyanine (ZnPc) from solvatochromic shifts is hereby presented. The ratio of the excited- and ground-state dipole moments of ZnPc ( ) was estimated by a combination of the Bakshiev and the Kawski-Chamma-Viallet’s equations, while the difference in the excited- and ground-state dipole moments (Dm) was estimated usingthe molecular-microscopic solvent polarity parameters ( ), alongside the Stokes’ shifts (Dῡ) in the various solvents. The dipole moment of ZnPc is significantly higher in the excited singlet state (me = 3.12 D) than in the ground state (mg = 1.50 D). Obviously charge separation is greater in the excited state of ZnPc than in its ground state.  
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