Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes

Song, Ge, Sun, Qiao, Hou, Ya-Nan, Zhan, Rui, Wei, Dong-Ming, Shi, Zhan and Xing, Yong-Heng (2013) Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes. Chinese Journal of Inorganic Chemistry, 29 10: 2150-2156. doi:10.3969/j.issn.1001-4861.2013.00.302

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Author Song, Ge
Sun, Qiao
Hou, Ya-Nan
Zhan, Rui
Wei, Dong-Ming
Shi, Zhan
Xing, Yong-Heng
Title Synthesis, structure and quantum chemistry study of the 4-Iodopyrazole copper complexes
Journal name Chinese Journal of Inorganic Chemistry   Check publisher's open access policy
Translated journal name Wuji Huaxue Xuebao
Language of Journal Name eng
ISSN 1001-4861
Publication date 2013-01-01
Sub-type Article (original research)
DOI 10.3969/j.issn.1001-4861.2013.00.302
Open Access Status
Volume 29
Issue 10
Start page 2150
End page 2156
Total pages 7
Place of publication Beijing, China
Publisher Chinese Chemical Society
Language chi
Subject 1604 Human Geography
Abstract Two novel structural copper complexes: [Cu3(Ipz)3] (1) and [Cu (SO4)(Ipz4)] · 2H2O · CH3OH (2) were synthesized by the hydrothermal reaction and the solution method, respectively. The complexes were characterized by elemental analysis, IR spectroscopy, UV spectrum and single crystal X-ray diffraction. Structural analyses have revealed that the complex 1 is crystallized in the orthorhombic system with Pnma space group. The complex 2 is crystallized in the Triclinic system with P1 space group. In the structure of the two complexes, the oxidation state of Cu atoms are +1 and +2, respectively, the coordinate environment of the metal and the coordinate model of the ligand are absolutely different. In the complex 1, copper is a two coordination atom, connected with ligand forming a nine-membered ring. However, the complex 2 is a six coordination atom, using coordinate sulfate group to form an infinite chain. Additionally, by using the quantum chemistry method electronic characteristic of the two complexes were performed, in the mean time, the luminescent spectrum of complex 1 was analyzed.
Keyword Copper complex
Quantum chemistry study
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2014 Collection
Australian Institute for Bioengineering and Nanotechnology Publications
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