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ESR bonding parameters and hyperfine line width studies of ternary copper(II) complexes
Author(s) -
Pisipati V. G. K. M.,
Rao N. V. S.,
Muralikrishna V.
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260240608
Subject(s) - chemistry , hyperfine structure , ternary operation , copper , solvent , pyridine , ground state , solvent effects , dimethylformamide , analytical chemistry (journal) , atomic physics , organic chemistry , physics , computer science , programming language
ESR and optical absorption studies are described for a number of ternary copper(II) compounds formed with substituted amino acids and different aliphatic polyamines, giving rise to two different immediate environments around copper(II), [3N, O] and [2N, 2O]. The ESR measurements were carried out in different solvents such as dimethyl sulphoxide, dimethylformamide and pyridine at room and liquid nitrogen temperatures. Molecular orbital coefficients were estimated assuming an axial symmetry. The parameter χ, proportional to the hyperfine constants, was estimated and shows a variation with solvent. The χ values in a solvent were found to be lower than the corresponding average values reported in the solid state for a particular type of environment. The solvent effect and the influence of the 4s character in the ground state are discussed. The hyperfine line widths in solution are estimated using Kivelson's theory. The disagreement between theoretical and experimental line widths are discussed.