Issue 10, 2013

Experimental and theoretical evidence of unsupported Ag–Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents

Abstract

The synthesis of several dimeric silver compounds containing bis(pyrazol-1-yl)-6-(R)-s-triazine or bis(3,5-dimethylpyrazol-1-yl)-6-(R)-s-triazine ligands and coordinated triflate is described. The structures of two of the compounds have been determined by X-ray diffraction. Both derivatives show ligand-unsupported argentophilic contacts and different supramolecular interactions such as π–π stacking, CH–π or anion–π interactions. Hydrogen bonds are also established between the monomers. The relative orientation of the two monomers, which is mainly influenced by the formation of hydrogen bonds, reflects the symmetry of the R substituent of the triazine ring. Theoretical DFT calculations and Natural Bond Order (NBO) analysis of the two dimers further support the existence of the argentophilic interactions. Differences between the optimized and real structures can be mainly attributed to the underestimation of the π–π stacking interaction in the DFT studies.

Graphical abstract: Experimental and theoretical evidence of unsupported Ag–Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents

Supplementary files

Article information

Article type
Paper
Submitted
04 Jul 2013
Accepted
31 Jul 2013
First published
02 Aug 2013

New J. Chem., 2013,37, 3183-3194

Experimental and theoretical evidence of unsupported Ag–Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents

M. Pilar Carranza, B. R. Manzano, F. A. Jalón, A. M. Rodríguez, L. Santos and M. Moreno, New J. Chem., 2013, 37, 3183 DOI: 10.1039/C3NJ00738C

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