A theoretical investigation on hydrolysis mechanism of biologically relevant Pt(II)/Pd(II) complexes with σ-donor and π-acceptor carrier ligand
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- 作者：Venkata P. Reddy B.a ; Ishani Mitraa ; Subhajit Mukherjeea ; P.S. Senguptab ; Subba Reddy Doddac ; Sankar Ch. Moia ; sankarmoi67@yahoo.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Hydrolysis mechanism ; 2-Aminomethylpyridine ; Pt(II)/Pd(II) complexes ; DFT ; Potential energy surface
- 刊名：Chemical Physics Letters
- 出版年：2016
- 出版时间：16 July 2016
- 年：2016
- 卷：657
- 期：Complete
- 页码：148-155
- 全文大小：1760 K
文摘
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Hydrolysis reaction mechanism of
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Activation energies for two step hydrolysis calculated for both the complexes.
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A concerted SN2 mechanism is proposed based on the structure of transition states.
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First step of hydrolysis is faster than the second step for both the complexes 1 and 2.