Crystals of 4,7-Bis(2,5-dimethyl-[1,1'-biphenyl]-4-yl)benzothiadiazole and Its Derivative with Terminal n-Hexyl Substitutes: Growth, Structure, Thermal and Absorption/Fluorescent Properties

期刊论文
发表日期：

2024年12月1日

查看全文

V. A. Postnikov,
N. I. Sorokina,
G. A. Yurasik,
T. A. Sorokin,
A. A. Kulishov,
M. S. Lyasnikova,
V. V. Popova,
E. A. Svidchenko,
N. M. Surin,
O. V. Borshchev

摘要

Abstract

The crystallization and absorption/fluorescent properties of linear conjugated molecules derived from 2,1,3-benzothiadiazole, specifically, 4,7-bis(2,5-dimethyl-[1,1'-biphenyl]-4-yl)benzothiadiazole (Ph-Xy-BTD) and 4,7-bis(4'-hexyl-2,5-dimethyl-[1,1'-biphenyl]-4-yl)benzothiadiazole (Hex-Ph-Xy-BTD), have been studied. The synthesis of a new derivative of Hex-Ph-Xy-BTD is described. It was found that the presence of terminal n-hexyl substituents in Hex-Ph-Xy-BTD reduces the melting temperature, increases solubility, and has a positive effect on crystallization as compared to Ph-Xy-BTD. Hex-Ph-Xy-BTD single crystals were grown from a hexane solution, and their structure was elucidated using single-crystal X-ray diffraction, confirming a monoclinic system (sp. gr. P2₁/c, Z = 4). Absorption and fluorescence spectra were obtained and analyzed for solutions in tetrahydrofuran, as well as for the Ph-Xy-BTD and Hex-Ph-Xy-BTD crystals, along with the study of the quantum yield and fluorescence lifetime.