Supramolecular assembly of diplatinum species through Pt(II)···Pt(II) intermolecular interactions: A combined experimental and computational study.

Chemistry-A European Journal 18, 13787 - 13799 (2012)

Supramolecular assembly of diplatinum species through Pt(II)···Pt(II) intermolecular interactions: A combined experimental and computational study.

A. Perez, L. A. Espinosa-Leal, M.-R. Azani, A. Guijarro, P. J. S. Miguel, G. Givaja, O. Castillo, R. Mas-Ballesté, F. Zamora, A. Rubio.

The present study elucidates the factors that govern the spontaneous selfassembly of a family of dimetal [Pt2L4] (L=dithiocarboxylato) complexes. Experimental data show that variables such as temperature, concentration, solvent and the nature of ligand L have a critical effect on the reversible self-assembly of supramolecular [Pt2L4]n entities. In solution, new UV-vis spectroscopic features emerge at low temperatures and/or high concentrations, which are attributed to the formation of oligomeric [Pt2L4]n species. The description of intermolecular Pt···Pt interactions, the main driving force for the association, was addressed from a computational perspective. The contributions from intermolecular Pt···S and S···S interactions to these supramolecular assemblies were found to be repulsive. Experimental UV-vis data have been interpreted by means of computational spectroscopy.

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http://dx.doi.org/10.1002/chem.201201962

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