A quantomechanical explanation for the electronic transitions of the square-planar [MLCI2] complexes

Faculty of Chemistry, University of  Craiova, Calea Bucuresti, 165, Romania

E-mail : n_muresan@yahoo.fr Fax : 40-51-197048

Department of Research and Development, Aircraft S.A., Aeroportului 1, Craiova, Romania

lnstitute of Physical Chemistry, Romanian Academy, Splaiul Independentei, 2028, Bucharest, Romania

Manuscript received 27 March 2001, revised 19 July 2001, accepted 15 September 2001

The present paper deals with the assignment of the absorption bands occurring in the electronic spectra of [MLCl₂] complexes, where M = Ni^II, Pd^II and Pt^II and L is a new thioamide of the dibenzofuran series. EHT-MO calculations are performed for the free ligand and the complexes. Comparison of all the spectra shows that the nitrogen atom and the sulfur atom in the C=S bond are involved in the coordination.