Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidinesElectronic supplementary information (ESI) available: TG curves, packing diagrams and supramolecular interactions for 1-6, Laplacian ∇2ρ(r) contour map of dimeric complexes and tables. CCDC reference numbers 819202-819207. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c1dt10603a

• Main Authors: Caballero, Ana B, Maclaren, Jana K, Rodríguez-Diéguez, Antonio, Vidal, Isaac, Dobado, Jose A, Salas, Juan M, Janiak, Christoph
• Format: Article
• Language: English
• ISSN: 1477-9226; 1477-9234
• DOI: 10.1039/c1dt10603a

Silver( i ) coordination complexes with the versatile and biomimetic ligands 1,2,4-triazolo[1,5- a ]pyrimidine (tp), 5,7-dimethyl-1,2,4-triazolo[1,5- a ]pyrimidine (dmtp) and 7-amine-1,2,4-triazolo[1,5- a ]pyrimidine (7atp) all feature dinuclear [Ag 2 (μ-tp) 2 ] 2+ building units (where tp is a triazolopyrimidine derivative), which are the preferred motif, independently of the counter-anion used. According to AIM (atoms in molecules) and ELF (electron localization function) analyses, this fact is due to the great stability of these dinuclear species. The complexes structures range from the dinuclear entities [Ag 2 (μ-tp) 2 (CH 3 CN) 4 ](BF 4 ) 2 ( 1 ), [Ag 2 (μ-tp) 2 (CH 3 CN) 4 ](ClO 4 ) 2 ( 2 ), [Ag 2 (μ-7atp) 2 ](ClO 4 ) 2 ( 3 ) and [Ag 2 (μ-dmtp) 2 (CH 3 CN)](PF 6 )(ClO 4 ) ( 4 ) over the 1D polymer chain [Ag 2 (μ-CF 3 SO 3 ) 2 (μ-dmtp) 2 ] n ( 5 ) to the 3D net {[Ag 2 (μ 3 -tp) 2 ](PF 6 ) 2 · ∼6H 2 O} n ( 6 ) with NbO topology. Silver( i ) complexes containing triazolopyrimidine derivatives feature a dinuclear species as the basic structural unit, which yield different topologies. Supported by AIM and ELF analyses, the results suggest a new approach for the synthesis of novel porous metal-organic frameworks based on such biologically relevant ligands.