Spectral-Luminescent Properties of 5-(2-Hydroxyphenyl)-3-methyl-1-(quinolin-2-yl)-1H-1,2,4-triazole and Its Complex with Beryllium(II)

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发表日期：

2024年5月1日

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I. E. Mikhailov,
L. D. Popov,
N. I. Vikrishchuk,
G. A. Dushenko,
V. I. Minkin

摘要

Abstract

5-(2-Hydroxyphenyl)-3-methyl-1-(quinolin-2-yl)-1H-1,2,4-triazole (L), its O-ethyl derivative, and the L₂Be(II) complex have been synthesized. It has been found that the complex with Be(II) fluoresces intensely with φ = 0.37–0.42 in the blue region of the visible spectrum (λ^fl_max 450–456 nm), whereas ligand (L) and its O-ethyl derivative emit light with a low quantum yield because of the ESIPT process and conformational non-rigidity, respectively. The alternative structures of ligand (L), its O-ethyl derivative, L₂Be(II) complex, and their most energetically stable conformers and isomers were found by calculation using the CAM-B3LYP/6-311++G(d,p) method.