Synthesis, Structure, Photoluminescent and Semiconductor Properties of, and Theoretical Calculations for, a Novel Zinc Complex

A novel zinc complex [Zn3(2,2′-bi-1H-imidazole)2(1H-biimidazole)2(SO4)2]n has been synthesised through a solvothermal reaction and structurally characterised by single-crystal X-ray diffraction. It has a one-dimensional chain-like structure with both tetrahedral and square pyramidal zinc atoms. A th...

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Bibliographic Details
Published in:Journal of chemical research 2017-10, Vol.41 (10), p.586-590
Main Authors: Yi, Xiu-Guang, Chen, Wen-Tong, Huang, Jian-Gen, Zhang, Ding-Wa, Wang, Yin-Feng
Format: Article
Language:English
Subjects:
Atomic structure
Charge transfer
Chemical bonds
Crystal structure
Hydrogen bonding
Imidazole
Ligands
Mathematical analysis
Photoluminescence
Reflectance
Single crystals
Zinc compounds
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Summary:A novel zinc complex [Zn3(2,2′-bi-1H-imidazole)2(1H-biimidazole)2(SO4)2]n has been synthesised through a solvothermal reaction and structurally characterised by single-crystal X-ray diffraction. It has a one-dimensional chain-like structure with both tetrahedral and square pyramidal zinc atoms. A three-dimensional supramolecular framework is constructed through hydrogen-bonding interactions. Photoluminescence shows that the complex displays an emission in the blue region of the light spectrum that time-dependent density functional theory calculations reveal can be attributed to ligand-to-ligand charge transfer. Solid-state diffuse reflectance measurements show the existence of a narrow optical band gap of 2.08 eV.
ISSN:1747-5198
2047-6507
DOI:10.3184/174751917X15065183733141