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

作者：Roy Sourav; Bhattacharyya Anik; Herrero Santiago; Gonzalez Prieto Rodrigo; Frontera Antonio^*; Chattopadhyay Shouvik^*

来源：ChemistrySelect, 2017, 2(22): 6535-6543.

DOI：10.1002/slct.201701016

• 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

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.

• 出版日期2017-7-31