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Issue 45, 2020
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Towards kinetic control of coordination self-assembly: a case study of a Pd3L6 double-walled triangle to predict the outcomes by a reaction network model

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Abstract

Numerical analysis of self-assembly process (NASAP) was performed for a [Pd3L6]6+ double-walled triangle (DWT) complex. With a chemical reaction network and a parameter set of the reaction rate constants obtained from a numerical search in an eighteen-dimensional parameter space to obtain a good fit to the data from the experimental counterpart (quantitative analysis of self-assembly process, QASAP), a refined calculation resulted in a detailed time evolution of each molecular species. Analysis based on those clues revealed dominant self-assembly pathways and a balance between inter- and intramolecular reactions, and enabled prediction of the reaction outcomes depending on the initial stoichiometric ratio under kinetic control.

Graphical abstract: Towards kinetic control of coordination self-assembly: a case study of a Pd3L6 double-walled triangle to predict the outcomes by a reaction network model

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Article information


Submitted
02 Sep 2020
Accepted
28 Oct 2020
First published
17 Nov 2020

Phys. Chem. Chem. Phys., 2020,22, 26614-26626
Article type
Paper

Towards kinetic control of coordination self-assembly: a case study of a Pd3L6 double-walled triangle to predict the outcomes by a reaction network model

S. Takahashi, T. Tateishi, Y. Sasaki, H. Sato and S. Hiraoka, Phys. Chem. Chem. Phys., 2020, 22, 26614
DOI: 10.1039/D0CP04623J

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