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Synthesis, crystal structure and photoluminescent behaviors of 3-(1H-benzotriazol-1-yl)-4-methyl-benzo[7,8]coumarin

Paper ID Volume ID Publish Year Pages File Format Full-Text
28402 44074 2007 7 PDF Available
Title
Synthesis, crystal structure and photoluminescent behaviors of 3-(1H-benzotriazol-1-yl)-4-methyl-benzo[7,8]coumarin
Abstract

A novel coumarin derivative containing an electron-transporting moiety (benzotriazole), 3-(1H-benzotriazol-1-yl)-4-methyl-benzo[7,8]coumarin (BMBC), was synthesized and characterized by element analysis, 1H NMR, FT-IR and UV–vis absorption spectra, TG-DTA and single crystal X-ray crystallography. Crystallographic data reveal a dihedral angle of 60.4° between the benzocoumarin and benzotriazole rings, which is attributed to the spatial hindrance of a 4-positioned methyl group. The photoluminescent behaviors of BMBC doped in PMMA were discussed. The compound exhibits a strong blue emission under ultraviolet light excitation. The ground-state geometries, the lowest energy transition and the UV–vis spectrum of BMBC have been studied with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at B3LYP/6-31G(d) level, showing that the calculation outcomes are in good agreement with experimental data.

Keywords
Synthesis; Crystal structure; Photoluminescence; Coumarin derivative; UV–vis spectrum
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Synthesis, crystal structure and photoluminescent behaviors of 3-(1H-benzotriazol-1-yl)-4-methyl-benzo[7,8]coumarin
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 188, Issues 2–3, 20 May 2007, Pages 245–251
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
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Price was $35.95
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Price after discount Only $4.95
100% Money Back Guarantee
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