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

Alejandro Pérez Paz; Leonardo A. Espinosa Leal; Mohammad Reza Azani; Alejandro Guijarro; Pablo J. Sanz Miguel; Gonzalo Givaja; Oscar Castillo; Rubén Mas-Ballesté; Félix Zamora; Angel Rubio

doi:10.1002/chem.201201962

Supramolecular assembly of diplatinum species through weak Pt ^II···Pt ^II intermolecular interactions: A combined experimental and computational study

Alejandro Pérez Paz
, Leonardo A. Espinosa Leal
, Mohammad Reza Azani
, Alejandro Guijarro
, Pablo J. Sanz Miguel
, Gonzalo Givaja
, Oscar Castillo
, Rubén Mas-Ballesté
, Félix Zamora
, Angel Rubio

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

The present study elucidates the factors that govern the spontaneous self-assembly of a family of dimetal [Pt ₂L ₄] (L=dithiocarboxylato ligand) complexes. Experimental data show that variables such as temperature, concentration, solvent and the nature of the ligand L have a critical effect on the reversible self-assembly of supramolecular [Pt ₂L ₄] _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 [Pt ₂L ₄] _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.

Original language	English
Pages (from-to)	13787-13799
Number of pages	13
Journal	Chemistry - A European Journal
Volume	18
Issue number	43
DOIs	https://doi.org/10.1002/chem.201201962
Publication status	Published - Oct 22 2012
Externally published	Yes

Keywords

computational chemistry
density functional calculations
metal-metal interactions
platinum
supramolecular chemistry

ASJC Scopus subject areas

Catalysis
Organic Chemistry

Access to Document

10.1002/chem.201201962

Cite this

Pérez Paz, A., Espinosa Leal, L. A., Azani, M. R., Guijarro, A., Sanz Miguel, P. J., Givaja, G., Castillo, O., Mas-Ballesté, R., Zamora, F., & Rubio, A. (2012). Supramolecular assembly of diplatinum species through weak Pt ^II···Pt ^II intermolecular interactions: A combined experimental and computational study. Chemistry - A European Journal, 18(43), 13787-13799. https://doi.org/10.1002/chem.201201962

Supramolecular assembly of diplatinum species through weak Pt ^II···Pt ^II intermolecular interactions: A combined experimental and computational study. / Pérez Paz, Alejandro; Espinosa Leal, Leonardo A.; Azani, Mohammad Reza et al.
In: Chemistry - A European Journal, Vol. 18, No. 43, 22.10.2012, p. 13787-13799.

Research output: Contribution to journal › Article › peer-review

Pérez Paz, A, Espinosa Leal, LA, Azani, MR, Guijarro, A, Sanz Miguel, PJ, Givaja, G, Castillo, O, Mas-Ballesté, R, Zamora, F & Rubio, A 2012, 'Supramolecular assembly of diplatinum species through weak Pt ^II···Pt ^II intermolecular interactions: A combined experimental and computational study', Chemistry - A European Journal, vol. 18, no. 43, pp. 13787-13799. https://doi.org/10.1002/chem.201201962

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title = "Supramolecular assembly of diplatinum species through weak Pt II···Pt II intermolecular interactions: A combined experimental and computational study",

abstract = "The present study elucidates the factors that govern the spontaneous self-assembly of a family of dimetal [Pt 2L 4] (L=dithiocarboxylato ligand) complexes. Experimental data show that variables such as temperature, concentration, solvent and the nature of the ligand L have a critical effect on the reversible self-assembly of supramolecular [Pt 2L 4] 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 [Pt 2L 4] 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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AU - Guijarro, Alejandro

AU - Sanz Miguel, Pablo J.

AU - Givaja, Gonzalo

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AU - Zamora, Félix

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