Spectral and bonding properties of bis(N,N-disubstituted-dithiocarbamato)iron(III)dihalide complexes studied by experimental and EHMO quantum-chemical methods

Abstract

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.