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用溶剂变色法测定偶极激光染料的基态和激发态偶极矩。

Determination of ground and excited state dipole moments of dipolar laser dyes by solvatochromic shift method.

机构信息

Department of Physics, J.S.S. College, Dharwad 580 004, India.

Laser Spectroscopy Programme, Department of Physics, Karnatak University, Dharwad 580 003, India.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 5;123:117-26. doi: 10.1016/j.saa.2013.12.031. Epub 2013 Dec 17.

Abstract

The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed.

摘要

室温下,我们全面记录并研究了三种中等极性的激光染料:香豆素 478(C478)、香豆素 519(C519)和香豆素 523(C523)在各种溶剂中的吸收和荧光光谱。C478、C519 和 C523 的吸收和荧光光谱随溶剂极性的增加发生红移和蓝移,表明涉及的跃迁为 π→π()和 n→π()。从头算计算确定的 Onsager 半径用于确定偶极矩。通过溶剂化变色相关关系评估基态和激发态偶极矩。我们观察到,对于研究的溶剂,激发态(μe)的偶极矩值高于相应的基态值(μg)。从从头算计算和实验确定的这些探针的基态和激发态偶极矩进行了比较,并对结果进行了讨论。

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