Photoluminescence, semiconductive properties and theoretical calculation of a novel bismuth biimidazole compound

A novel bismuth biimidazole compound, [(BiCl4)‐(μ2‐Cl)2‐(BiCl4)][(CH3)4‐2,2'‐biimidazole]2 (1) with the (CH3)4‐2,2'‐biimidazole moiety generated in situ, was successfully prepared under hydrothermal conditions and structurally characterized using a single‐crystal X‐ray diffraction techniqu...

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Bibliographic Details
Published in:Luminescence (Chichester, England) England), 2017-03, Vol.32 (2), p.201-205
Main Authors: Zhang, Ding‐Wa, Chen, Wen‐Tong, Wang, Yin‐Feng
Format: Article
Language:English
Subjects:
Band spectra
bismuth
Bismuth - chemistry
Bismuth compounds
Density functional theory
Imidazole
Imidazoles - chemistry
Luminescence
MLCT
Photochemical Processes
Photoluminescence
Quantum Theory
Reflectivity
semiconductor
Semiconductors
TDDFT
Temperature
Time dependence
Time Factors
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Summary:A novel bismuth biimidazole compound, [(BiCl4)‐(μ2‐Cl)2‐(BiCl4)][(CH3)4‐2,2'‐biimidazole]2 (1) with the (CH3)4‐2,2'‐biimidazole moiety generated in situ, was successfully prepared under hydrothermal conditions and structurally characterized using a single‐crystal X‐ray diffraction technique. Compound 1 is characteristic of an isolated structure, consisting of [(BiCl4)‐(μ2‐Cl)2‐(BiCl4)] and (CH3)4‐2,2'‐biimidazole moieties. Solid‐state photoluminescence measurement reveals that it shows a strong emission in the blue region. Time‐dependent density functional theory studies show that this emission is ascribed to metal‐to‐ligand charge transfer. The solid‐state diffuse reflectance spectrum reveals the existence of an optical band gap of 2.09 eV, indicating that it is a semiconductor.
ISSN:1522-7235
1522-7243
DOI:10.1002/bio.3168