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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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 |
work_keys_str_mv |
AT wentongchen insitupreparationstructurephotoluminescenceandtheoreticalstudyofanunusualbismuthcomplex AT jiangenhuang insitupreparationstructurephotoluminescenceandtheoreticalstudyofanunusualbismuthcomplex AT xiuguangyi insitupreparationstructurephotoluminescenceandtheoreticalstudyofanunusualbismuthcomplex |
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