TY - JOUR
T1 - Supramolecular assembly of diplatinum species through weak PtII⋅⋅⋅ PtII intermolecular interactions
T2 - A combined experimental and computational study
AU - Paz, Alejandro Pérez
AU - Espinosa-Leal, Leonardo
AU - Azani, Mohammed-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
Y1 - 2012
N2 - The present study elucidates the factors that govern the spontaneous self-assembly of a family of dimetal [Pt2L4] (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 [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.
AB - The present study elucidates the factors that govern the spontaneous self-assembly of a family of dimetal [Pt2L4] (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 [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.
U2 - 10.1002/chem.201201962
DO - 10.1002/chem.201201962
M3 - Article
SN - 0947-6539
VL - 18
SP - 13787
EP - 13799
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 43
ER -