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Accidental Orthogonality Induced Weak Magnetic Coupling in a Dinuclear Copper(II) Complex: Exploration of Unconventional C‐H⋅⋅⋅π(SCN) Interactions and Catechol Oxidase Activity
Author(s) -
Roy Sourav,
Bhattacharyya Anik,
Herrero Santiago,
GonzálezPrieto Rodrigo,
Frontera Antonio,
Chattopadhyay Shouvik
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201701016
Subject(s) - thiocyanate , catechol , copper , chemistry , orthogonality , atomic orbital , antiferromagnetism , inductive coupling , crystallography , coupling (piping) , stereochemistry , inorganic chemistry , condensed matter physics , materials science , physics , biochemistry , geometry , mathematics , organic chemistry , quantum mechanics , electron , metallurgy
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⋅⋅⋅π (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.