Electronic and geometric structures of Pt(NH3)22+, Pt(NH3)2Cl2, Pt(NH3)3X, and Pt(NH3)2XY (X, Y = H2O, OH-)
Electronic and geometric structures of Pt(NH3)22+, Pt(NH3)2Cl2, Pt(NH3)3X, and Pt(NH3)2XY (X, Y = H2O, OH-)
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DOI：
10.1021/ic00215a002
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发表时间：
1985-10
影响因子：
4.6
通讯作者：
H. Basch;M. Krauss;W. J. Stevens
中科院分区：
文献类型：
--
作者：
H. Basch;M. Krauss;W. J. Stevens
H", Cl"), was compared to exptl. data. 1, 2 Such molecular orbital calculations permit a direct comparison of the isomericstructural and energy differences for the isolated complexes. Unfortunately, the intepretation of the experimental data is complicated by solvent or crystal interactions, which are absent in the calculated results. The Pt (NH3) 2Cl2 (DDP) and Pt (NH3) 2XY (X, Y= H2G, OH") complexes were chosen for studyhere because of the interest in these systems as antitumor drugs. 3 The study of the electronic structures, conformations, and relative energetics of these com-pounds was preliminary to a study of the bonding of the Pt-(NH3) 32+ fragment to ring compounds that model the pyrimidine and purine bases of DNA.
