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Molecular mechanical and quantum chemical study on the species involved in the hydrolysis of cis-diaminedichloro-platinum(II) and substituted bis(ethylenediamine)dichloro-platinum(II) complexes. Part I. Reactans and products

Nikolov, G. S. ; Trendavilova, N. ; Schönenberger, Helmut ; Gust, Ronald ; Kritzenberger, J. ; Yersin, Hartmut



Abstract

Cisplatin and its substituted ethylenediamine derivatives, cis-PtCl₂(R₂en) (en = ethylenediamine, R = H, Ph (phenyl), 2-, 3- and 4-PhOH) have been studied with respect to the first step of their hydrolysis reaction. The geometry of the reactants and products was determined by molecular mechanics (MM). The MM optimized structures were used to calculate by the extended Huckel method the charge ...

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