Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C-H•••π(SCN) Interactions and Catechol Oxidase Activity

被引：19

作者：

Roy, Sourav ^{[1
]}

Bhattacharyya, Anik ^{[1
]}

Herrero, Santiago ^{[2
]}

Gonzalez-Prieto, Rodrigo ^{[2
]}

Frontera, Antonio ^{[3
]}

Chattopadhyay, Shouvik ^{[1
]}

机构：

[1] Jadavpur Univ, Inorgan Sect, Dept Chem, Kolkata 700032, India

[2] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Inorgan 1, Ciudad Univ, E-28040 Madrid, Spain

[3] Univ Illes Balears, Dept Quim, Crta Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain

来源：

CHEMISTRYSELECT | 2017年 / 2卷 / 22期

关键词：

Catechol mimicking activity; Dinuclear Copper(II) Schiff base complex; DFT calculations; Magnetic Study of perpendicular aligned magnetic orbitals; Unconventional C-H center dot center dot center dot pi(SCN) interactions; TRIDENTATE SCHIFF-BASES; RAY CRYSTAL-STRUCTURE; DIRECTED TEMPLATED SYNTHESIS; BLOCKING LIGANDS; DICOPPER(II) COMPLEXES; ELECTRONIC-STRUCTURES; MULTICOPPER OXIDASES; NICKEL(II) COMPLEXES; MOLECULAR-STRUCTURES; BINUCLEAR COMPLEXES;

D O I：

10.1002/slct.201701016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Variable temperature magnetic susceptibility measurement of a thiocyanate/phenoxo bridged dinuclear copper(II) complex indicated the presence of weak antiferromagnetic interaction. DFT calculation showed perpendicular arrangement of magnetic orbitals, thereby rationalizing the low J value. Unconventional C-H center dot center dot center dot pi (SCN) interaction in solid state of the complex was estimated and analyzed by Bader's AIM theory. Catechol oxidase mimicking activity of the complex was also investigated.

引用

页码：6535 / 6543

页数：9