A kinetics study of ligand substitution reaction on dinuclear platinum complexes: Stochastic versus deterministic approach |
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| Authors: | Tatsuya Iioka Satoshi Takahashi Yuichiro Yoshida Yoshihiro Matsumura Shuichi Hiraoka Hirofumi Sato |
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| Institution: | 1. Department of Molecular Engineering, Kyoto University, Kyoto 615-8510, Japan;2. Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902, Japan |
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| Abstract: | The kinetics on a basic ligand substitution reaction on dinuclear platinum complexes Pt(PEt3)2PhPt(PEt3)2]2+ and Pt(PEt3)2PhCOPhPt(PEt3)2]2+ , with the ligands pyridine and 3-chloropyridine, is studied. This is a fundamental step in a self-assembly, and the time evolution has been observed with a new experimental technique, QASAP (quantitative analysis of self-assembly process), which is recently developed by Hiraoka's group. As a result of numerical calculations based on master equation, we succeed in specifying the reaction rate constants with a simple reaction model. In addition, the time evolutions of all the intermediate components produced and consumed in chemical reaction are revealed, including those unobserved in the experiments. The convergence behavior of the existence ratios of specific chemical species calculated with the stochastic algorithm method is compared with those obtained from deterministic formalism based on rate equations, revealing a clear dependence on the number of constituent molecules. © 2018 Wiley Periodicals, Inc. |
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| Keywords: | master equation stochastic process ligand substitution reaction self-assembly |
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