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Synthesis, Structure, and SOD‐like Activity of a Copper(II) Complex Containing a Bistriazole Group
Author(s) -
Zhou YingHua,
Wan WeiQing,
Sun DaLiang,
Tao Jun,
Zhang Li,
Wei XianWen
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201300238
Subject(s) - chemistry , copper , protonation , ion , crystallography , molecular orbital , xanthine oxidase , redox , atomic orbital , inorganic chemistry , molecule , stereochemistry , electron , enzyme , organic chemistry , physics , quantum mechanics
The dinuclear complex [Cu 2 (HL) 2 (H 2 O) 2 ](ClO 4 ) 2 ( 1 ) [H 2 L = 5′‐(pyridin‐2‐yl)‐1‐ H ,2′‐ H ‐3, 3′‐bis(1, 2,4‐triazole)] was obtained and fully characterized. It exhibits a centrosymmetry configuration, in which each copper(II) ion is pentacoordinate with four nitrogen atoms of two triazole ligands and one oxygen atom from a water molecule. The net atomic charges distribution and atomic orbital contribution to frontier molecular orbitals were obtained using the Gaussian 98 program with Hartree‐Fock method at LANL2DZ level, indicating that the copper(II) ion has the potential to accept the electron of O 2 · – . The complex showed quasi‐reversible one‐electron Cu II /Cu I redox waves with redox potentials of –0.034 V. The SOD‐like activity (IC 50 ) of 1 was measured to be 0.18 ± 0.01 μM by xanthine/xanthine oxidase‐NBT assay at pH 7.8. The relatively high SOD activity suggests that the positive charge of protonated triazole can effectively steer O 2 · – to and from the active copper ion.