In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex

A novel bismuth photoluminescent material, (N,N′-dimethyl-2,2′-bipy)2(Bi2Cl10)·2H2O (1) (bipy = bipyridine), with the N,N′-dimethyl-2,2′-bipy2+ moiety obtained in situ, has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 is characteriz...

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Main Authors: Wen-Tong Chen, Jian-Gen Huang, Xiu-Guang Yi
Format: Article
Language:English
Published: Slovenian Chemical Society 2016-11-01
Series:Acta Chimica Slovenica
Subjects:
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/2897
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spelling doaj-1ebd125873eb4c609ec6caf52b7b93ac2020-11-24T23:48:48ZengSlovenian Chemical SocietyActa Chimica Slovenica1318-02071580-31552016-11-0163489990410.17344/acsi.2016.2897407In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth ComplexWen-Tong Chen0Jian-Gen HuangXiu-Guang YiInstitute of Applied Chemistry, School of Chemistry and Chemical Engineering, Jinggangshan University, Ji’an, Jiangxi, 343009, ChinaA novel bismuth photoluminescent material, (N,N′-dimethyl-2,2′-bipy)2(Bi2Cl10)·2H2O (1) (bipy = bipyridine), with the N,N′-dimethyl-2,2′-bipy2+ moiety obtained in situ, has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 is characterized by an isolated structure, consisting of N,N′-dimethyl-2,2′-bipy2+ cations, Bi2Cl104– anions and lattice water molecules. Photoluminescence experiments with solid-state samples discover that compound 1 exhibits a strong emission in the green region. Time-dependent density functional theory (TDDFT) calculation reveals that the essence of the photoluminescence of 1 can be assigned to the combination of the metal-to-ligand charge transfer (MLCT) (from the HOMO of the bismuth ion to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety) and the ligand-to-ligand charge transfer (LLCT) (from the HOMO of the chloride ions to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety).https://journals.matheo.si/index.php/ACSi/article/view/2897bismuthphotoluminescencein situTDDFTX-ray diffraction
collection DOAJ
language English
format Article
sources DOAJ
author Wen-Tong Chen
Jian-Gen Huang
Xiu-Guang Yi
spellingShingle Wen-Tong Chen
Jian-Gen Huang
Xiu-Guang Yi
In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
Acta Chimica Slovenica
bismuth
photoluminescence
in situ
TDDFT
X-ray diffraction
author_facet Wen-Tong Chen
Jian-Gen Huang
Xiu-Guang Yi
author_sort Wen-Tong Chen
title In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
title_short In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
title_full In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
title_fullStr In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
title_full_unstemmed In Situ Preparation, Structure, Photoluminescence and Theoretical Study of an Unusual Bismuth Complex
title_sort in situ preparation, structure, photoluminescence and theoretical study of an unusual bismuth complex
publisher Slovenian Chemical Society
series Acta Chimica Slovenica
issn 1318-0207
1580-3155
publishDate 2016-11-01
description A novel bismuth photoluminescent material, (N,N′-dimethyl-2,2′-bipy)2(Bi2Cl10)·2H2O (1) (bipy = bipyridine), with the N,N′-dimethyl-2,2′-bipy2+ moiety obtained in situ, has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 is characterized by an isolated structure, consisting of N,N′-dimethyl-2,2′-bipy2+ cations, Bi2Cl104– anions and lattice water molecules. Photoluminescence experiments with solid-state samples discover that compound 1 exhibits a strong emission in the green region. Time-dependent density functional theory (TDDFT) calculation reveals that the essence of the photoluminescence of 1 can be assigned to the combination of the metal-to-ligand charge transfer (MLCT) (from the HOMO of the bismuth ion to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety) and the ligand-to-ligand charge transfer (LLCT) (from the HOMO of the chloride ions to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety).
topic bismuth
photoluminescence
in situ
TDDFT
X-ray diffraction
url https://journals.matheo.si/index.php/ACSi/article/view/2897
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AT jiangenhuang insitupreparationstructurephotoluminescenceandtheoreticalstudyofanunusualbismuthcomplex
AT xiuguangyi insitupreparationstructurephotoluminescenceandtheoreticalstudyofanunusualbismuthcomplex
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