Trans-influence of nitrogen-and sulfur-containing ligands in trans-platinum complexes: A density functional theory study

• Main Authors: Manalastas, William W., Dy, Eben S., Quevada, Nikko P., Kasai, Hideaki
• 格式: text
• 出版: Animo Repository 2009
• 主題: Platinum compounds; Platinum; Chlorine compounds; Dyes and dyeing; Sulfur; Density functionals; Chemistry
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/3797; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4799/type/native/viewcontent/064210.html
• 機構: De La Salle University

Transplatin complexes with N-or S-containing ligands were modeled in silico. We performed density functional theory calculations using the B3LYP exchange-correlation functional as incorporated in the Gaussian03 software package. The 6-311+G(d,p) basis set was used for first-row elements, and the Lan...