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Photoluminescence, semiconductive properties and theoretical calculation of a novel bismuth biimidazole compound
Author(s) -
Zhang DingWa,
Chen WenTong,
Wang YinFeng
Publication year - 2017
Publication title -
luminescence
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.428
H-Index - 45
eISSN - 1522-7243
pISSN - 1522-7235
DOI - 10.1002/bio.3168
Subject(s) - photoluminescence , bismuth , density functional theory , moiety , crystallography , band gap , chemistry , semiconductor , materials science , single crystal , computational chemistry , stereochemistry , optoelectronics , organic chemistry
A novel bismuth biimidazole compound, [(BiCl 4 )‐( μ 2 ‐Cl) 2 ‐(BiCl 4 )][(CH 3 ) 4 ‐2,2'‐biimidazole] 2 ( 1 ) with the (CH 3 ) 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 [(BiCl 4 )‐( μ 2 ‐Cl) 2 ‐(BiCl 4 )] and (CH 3 ) 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.