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Vol. 31 No. 8 (2019): Vol 31 Issue 8

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

https://doi.org/10.14233/ajchem.2019.21936
Mohamed A. Makhyoun
Chemistry Department, Faculty of Science, Alexandria University, 21525 Alexandria, Egypt
Raghdaa A. Massoud
Chemistry Department, Faculty of Science, Alexandria University, 21525 Alexandria, Egypt

Corresponding Author(s) : Mohamed A. Makhyoun

makhyoun2@yahoo.com

Asian Journal of Chemistry, Vol. 31 No. 8 (2019): Vol 31 Issue 8

Abstract

The reactions of cis-[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 cis-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.

Keywords

DFT calculations trans-Effect Cisplatin-guanine complex
Makhyoun, M. A., & Massoud, R. A. (2019). trans Effect of Amino-Chloro-Platinum Complexes and the Reaction of Cisplatin with Guanine: A Theoretical Study. Asian Journal of Chemistry, 31(8), 1683–1687. https://doi.org/10.14233/ajchem.2019.21936
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