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利用吸收光谱和荧光光谱的溶剂化显色位移估算激光染料C504T和C521T的基态和激发态偶极矩

Estimation of ground and excited state dipole moment of laser dyes C504T and C521T using solvatochromic shifts of absorption and fluorescence spectra.

作者信息

Basavaraja Jana, Suresh Kumar H M, Inamdar S R, Wari M N

机构信息

Department of Physics, Siddaganga Institute of Technology, Tumkur 572 103, India.

Department of Physics, Siddaganga Institute of Technology, Tumkur 572 103, India.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2016 Feb 5;154:177-184. doi: 10.1016/j.saa.2015.10.020. Epub 2015 Oct 24.

Abstract

The absorption and fluorescence spectra of laser dyes: coumarin 504T (C504T) and coumarin 521T (C521T) have been recorded at room temperature in a series of non-polar and polar solvents. The spectra of these dyes showed bathochromic shift with increasing in solvent polarity indicating the involvement of π→π⁎ transition. Kamlet-Taft and Catalan solvent parameters were used to analyze the effect of solvents on C504T and C521T molecules. The study reveals that both general solute-solvent interactions and specific interactions are operative in these two systems. The ground state dipole moment was estimated using Guggenheim's method and also by quantum mechanical calculations. The solvatochromic data were used to determine the excited state dipole moment (μ(e)). It is observed that dipole moment value of excited state (μ(e)) is higher than that of the ground state in both the laser dyes indicating that these dyes are more polar in nature in the excited state than in the ground state.

摘要

激光染料香豆素504T(C504T)和香豆素521T(C521T)在室温下于一系列非极性和极性溶剂中的吸收光谱和荧光光谱已被记录。这些染料的光谱显示随着溶剂极性增加发生红移,表明涉及π→π⁎跃迁。使用Kamlet - Taft和加泰罗尼亚溶剂参数来分析溶剂对C504T和C521T分子的影响。研究表明,在这两个体系中一般溶质 - 溶剂相互作用和特定相互作用均起作用。基态偶极矩通过古根海姆方法以及量子力学计算进行估算。利用溶剂化显色数据确定激发态偶极矩(μ(e))。观察到在这两种激光染料中,激发态偶极矩值(μ(e))均高于基态,这表明这些染料在激发态比在基态时极性更强。

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