TY - JOUR
T1 - Supramolecular assembly of diplatinum species through weak Pt II···Pt II intermolecular interactions
T2 - A combined experimental and computational study
AU - Pérez Paz, Alejandro
AU - Espinosa Leal, Leonardo A.
AU - Azani, Mohammad Reza
AU - Guijarro, Alejandro
AU - Sanz Miguel, Pablo J.
AU - Givaja, Gonzalo
AU - Castillo, Oscar
AU - Mas-Ballesté, Rubén
AU - Zamora, Félix
AU - Rubio, Angel
PY - 2012/10/22
Y1 - 2012/10/22
N2 - 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.
AB - 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.
KW - computational chemistry
KW - density functional calculations
KW - metal-metal interactions
KW - platinum
KW - supramolecular chemistry
UR - http://www.scopus.com/inward/record.url?scp=84867509389&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84867509389&partnerID=8YFLogxK
U2 - 10.1002/chem.201201962
DO - 10.1002/chem.201201962
M3 - Article
C2 - 22987280
AN - SCOPUS:84867509389
SN - 0947-6539
VL - 18
SP - 13787
EP - 13799
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 43
ER -