ELECTRON-PARAMAGNETIC-RESONANCE ON BIS(O-ETHYL-N-BENZOYL-THIOCARBAMATO)COPPER(II) - A SINGLE-CRYSTAL STUDY

Authors
KIRMSE R ZDOBINSKY G SEITZ C REINHOLD J SCHRODER U BEYER L
Citation
R. Kirmse et al., ELECTRON-PARAMAGNETIC-RESONANCE ON BIS(O-ETHYL-N-BENZOYL-THIOCARBAMATO)COPPER(II) - A SINGLE-CRYSTAL STUDY, Anales de quimica, 92(1), 1996, pp. 41-45
Citations number
27
Categorie Soggetti
Chemistry
Journal title
Anales de quimica → ACNP
ISSN journal
11302283
Volume
92
Issue
1
Year of publication
1996
Pages
41 - 45
Database
ISI
SICI code
1130-2283(1996)92:1<41:EOB>2.0.ZU;2-F
Abstract
A single-crystal X-band EPR study of bis(O-ethyl-N-benzoylthiocarbamat o)copper(II) incorporated in the corresponding nickel(II) complex is r eported. The tensors g and A(Cu) are nearly axial-symmetric; the obtai ned principal values g(z)=2.152, g(y)=2.037, g(x)=2.035, A(z)(Cu)=-178 .0x10(-4) cm(-1), A(y)(Cu)=37.7x10(-4) cm(-1) and A(x)(Cu)=-35.2x10(-4 ) cm(-1) agree with a planar arrangement of the central CuS2O2 unit. T he spin-density distribution is discussed using EHT molecular orbital calculations.