Author/Authors :
Levchenkov، نويسنده , , Sergey I. and Shcherbakov، نويسنده , , Igor N. and Popov، نويسنده , , Leonid D. and Lukov، نويسنده , , Vladimir V. and Minin، نويسنده , , Vadim V. and Starikova، نويسنده , , Zoya A. and Ivannikova، نويسنده , , Elena V. and Tsaturyan، نويسنده , , Arshak A. and Kogan، نويسنده , , Victor A.، نويسنده ,
Abstract :
The mononuclear copper(II) complex [CuL(CH3COO)], where L is monoanion of 1-phenyl-3-methyl-4-formylpyrazol-5-one 2-quinolylhydrazone has been synthesized. The weak intermolecular antiferromagnetic exchange interaction between copper(II) ions has been determined with the data of ESR spectroscopy and cryomagnetic measurements (2J = −3.25 cm−1). XRD data in combination with DFT calculations of exchange parameter within broken symmetry approach indicates that intermolecular exchange coupling is going through NH⋯O hydrogen bonds in centrosymmetric H-bonded dimers.
Keywords :
Exchange interaction , DFT calculations , Copper complexes , X-ray crystal structure
