%0 Journal Article
%T 2-Mercaptobenzoxazole pentacyanoferrate(II/III) complexes: UV-Visible, M£¿ssbauer, electron paramagnetic resonance, electrochemistry and molecular modeling
%A Luiz
%A Juciane B
%A Andrade
%A Fabiano M. de
%A S¨¢
%A Eduardo L. de
%A Friedermann
%A Geraldo R
%A Mangrich
%A Antonio S
%A Barclay
%A J. Elaine
%A Evans
%A David J
%A Hasegawa
%A Tai
%A Nunes
%A F¨¢bio S
%J Journal of the Brazilian Chemical Society
%D 2004
%I Sociedade Brasileira de Qu¨ªmica, SBQ
%R 10.1590/S0103-50532004000100003
%X 2-mercaptobenzoxazole pentacyanoferrate(ii/iii) complexes, [feii/iii(cn)5(bzoxs)]3-/2- , were prepared in meoh/h2o 75:25% solutions and characterized by spectroscopic uv-vis, m£¿ssbauer, electron paramagnetic resonance (epr) and electrochemical-cyclic voltammetry- techniques. uv-vis and epr spectra along with the electrochemical behavior suggested the coordination of the multi-functional n,s,o- donor ligand, bzoxs, to iron(iii) through the sulfur atom. the crystal field parameters, dql and dt, calculated for the iron(ii) complex, in addition to the reversible redox process feiii-bzoxs + e- £¿ feii-bzoxs also pointed to coordination via the sulfur atom. the results were compared with the chemical properties of pentacyanoferrate complexes containing other monodentate n-, s- and o-donor ligands. ab initio calculations revealed the composition of the frontier orbitals of bzoxs and are in agreement with the mode of coordination proposed from the experimental data.
%K 2-mercaptobenzoxazole
%K pentacyanoferrate
%K spectroscopy
%K crystal field parameters
%K ab initio calculations
%K electrochemistry.
%U http://www.scielo.br/scielo.php?script=sci_abstract&pid=S0103-50532004000100003&lng=en&nrm=iso&tlng=en