Effect of interligand repulsion of the molecular structures of bis-(dithiocarbamato) metal(II) complexes |
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| Affiliation: | 1. Universidad de Chile, Facultad de Ciencias Químicas y Farmacéuticas, Casilla 233, Santiago 1, Chile;2. Universidad de Santiago de Chile, Facultad de Química y Biología, Av. Libertador Bernardo O''Higgins 3363, Casilla 40, Correo 33, Santiago, Chile;3. Pontificia Universidad Católica de Valparaíso, Facultad de Ciencias, Avenida Universidad 330, Valparaíso, Chile;4. UMR 6226 CNRS-Université de Rennes 1, Sciences Chimiques de Rennes, Campus de Beaulieu, 35042 Rennes, France;1. Department of Chemistry, Payame Noor University, Tehran, Iran;2. Faculty of Engineering, Shohadaye Hoveizeh University of Technology, Dasht-e Azadegan, Susangerd, Iran;3. Research Center for Environmental Health Technology, Iran University of Medical Sciences, Iran;4. Department of Environmental Health Engineering, School of Public Health, Iran University of Medical Sciences, Tehran, Iran;5. Iranian Research and Development Center for Chemical Industries, ACECR, Tehran, Iran |
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| Abstract: | A survey of the structural data on M(R2dtc)2, where R2dtc− is R2NCS2− and MII Fe, Ni, Cu, Se, Te, Zn, Cd, Hg and Pb, has revealed that the ligand is essentially uncharged upon coordination to the metal ion and consequently should be considered as stereochemically rigid. A correlation between b (normalized bite distance) and rM (ionic radios of M) has been found and explained in terms of constant ∡SCS and variable rM. Both R(MS) and ∡SMS in this model are defined by the approach of M to the rigid CS2 group. The interligand repulsion was found to depend heavily on the ligand's bite angle. The distortion of the molecular structures of M(R2dtc)2 in the crystal state from the regular pseudotetrahedral or planar arrangements was explained as a means of reducing the interligand repulsion energy when an additional (intermolecular) contact is formed in the crystal due to crystal packing requirements. |
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