Open AccessSpectral and bonding properties of bis(N,N-disubstituted-dithiocarbamato)iron(III)dihalide complexes studied by experimental and EHMO quantum-chemical methods
Author(s) -
G.A. Katsoulos,
Constantinos A. Tsipis,
F. D. Vakoulis
Publication year - 1985
Publication title -
canadian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.323
H-Index - 68
eISSN - 1480-3291
pISSN - 0008-4042
DOI - 10.1139/v85-537
Subject(s) - chemistry , superexchange , quantum chemical , halogen , magnetic susceptibility , spectral line , thermogravimetric analysis , computational chemistry , crystallography , molecule , organic chemistry , ion , quantum mechanics , physics , alkyl
A new series of homobinuclear iron(III) halobisdithiocarbamate complexes antiferromagnetically coupled through a molecular halogen bridging unit has been synthesised and studied. The complexes have been characterized chemically and by spectroscopic methods and magnetic susceptibility measurements. The volatility characteristics and thermogravimetric analysis data for the new compounds are also studied. Finally, quantum-chemical calculations have been used to provide a qualitative guide to the possible pathways for the superexchange processes observed in these molecular magnetic systems, as well as to interpret their electronic spectra.