trans Effect of Amino-Chloro-Platinum Complexes and the Reaction of Cisplatin with Guanine: A Theoretical Study

摘要

The reactions of cw-[Pt(NH3)2Cl-cytosine] to form cis and trans dichloro products have been investigated theoretically by the aid of DFT method at the B3LYP/LANL2DZ level. It has been demonstrated by the estimation of activation energies the labile nature of the NH3 in the trans position. Investigation of the reaction between guanine and cw-platin was also performed. The transition states of the first two reactions were found by involving a restrained optimization of the reactant complexes and the product complexes.