title: Spectroscopic, Magnetic, and Electrochemical Studies of a Dimeric N-Substituted-Sulfanilamide Copper(II) Complex. X-ray and Molecular Structure of the Cu(2)(sulfathiazolato)(4) Complex.
abstract: A copper(II) complex of formula Cu(2)(stz)(4) (stz(-) = sulfathiazolato) has been synthesized and characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic system, space group P2(1)cn with a = 10.595(7) Å, b = 14.274(3) Å, c = 29.65(1) Å, and Z = 4. The structure consists of dinuclear copper(II) units which contain four sulfathiazolato ligands bridging the metal ions through a nonlinear NCN group. The copper atoms are four-coordinated, the chromophore being CuN(4). The Cu.Cu bond distance is 2.671(2) Å. Magnetic susceptibility data in the temperature range 7-300 K show the occurrence of intramolecular antiferromagnetic coupling with 2J = -61.5 cm(-1). This low exchange energy value has been analyzed and rationalized through extended Hückel calculations. EPR spectra at X- and Q-band frequencies show the signals corresponding to a dinuclear entity, being the zero-field splitting parameter, D = 0.230 cm(-1).
authors.affiliation: Departamento de Química Inorgánica, Universidad de Valencia, Avenida Vicent Andrés Estellés, s/n, 46100 Burjassot, Valencia, Spain.
authors.forename: Javier
authors.initials: J
authors.lastname: Casanova
authors.forename: Gloria
authors.initials: G
authors.lastname: Alzuet
authors.forename: Julio
authors.initials: J
authors.lastname: Latorre
authors.forename: Joaquín
authors.initials: J
authors.lastname: Borrás