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溶剂对绿色和蓝色发光喹啉衍生物性质影响的理论-实验光物理研究

Theoretical-Experimental Photophysical Investigations of the Solvent Effect on the Properties of Green- and Blue-Light-Emitting Quinoline Derivatives.

作者信息

Dos Santos Giovanny Carvalho, Servilha Roberta Oliveira, de Oliveira Eliézer Fernando, Lavarda Francisco Carlos, Ximenes Valdecir Farias, da Silva-Filho Luiz Carlos

机构信息

Department of Chemistry, São Paulo State University (UNESP), School of Sciences, 17033-360, Bauru, São Paulo, Brazil.

Department of Physics, São Paulo State University (UNESP), School of Sciences, 17033-360, Bauru, São Paulo, Brazil.

出版信息

J Fluoresc. 2017 Sep;27(5):1709-1720. doi: 10.1007/s10895-017-2108-0. Epub 2017 May 11.

Abstract

This paper describes the investigations on the solvatochromic effect and the photophysical properties of quinoline derivatives, compounds with potential applicability in optoelectronic devices. Using an experimental and theoretical approach, the effect of the solvent and the insertion of the phenyl, nitro, amino and dimethylamino group in the quinoline backbone were investigated. The use of Density Functional Theory (DFT) calculations provided the bases for the understanding of the energetic transitions observed in the absorption and fluorescence experiments. In general, it was observed a change in the wavelength of maximum absorption and fluorescence quantum yield of the studied compounds caused by the substituents in the quinoline core. This effect was correlated with the solvent dielectric constants.

摘要

本文描述了对喹啉衍生物的溶剂化显色效应和光物理性质的研究,这些化合物在光电器件中具有潜在的应用价值。采用实验和理论方法,研究了溶剂的影响以及喹啉主链中苯基、硝基、氨基和二甲基氨基的插入情况。密度泛函理论(DFT)计算的运用为理解吸收和荧光实验中观察到的能量跃迁提供了依据。总体而言,观察到喹啉核心中的取代基导致所研究化合物的最大吸收波长和荧光量子产率发生变化。这种效应与溶剂介电常数相关。

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