Two related copper(I) π-complexes based on 2-allyl-5-(2-pyridyl)-2H-tetrazole ligand: Synthesis and structure of [Cu(2-apyt)NO3] and [Cu(2-apyt)(H2O)](BF4) compounds

Abstract

By means of the alternating current electrochemical technique two new [Cu(2-Apyt)NO3] (1) and [Cu(2-Apyt)(H2O)](BF4) (2) π-compounds have been obtained starting from the mixture of 1-allyl-5-(2-pyridyl)-2H-tetrazole (1-Apyt) and 2-allyl-5-(2-pyridyl)-2H-tetrazole (2-Apyt) and corresponding copper(II) salts, and structurally studied. Selective towards 2-allyl- isomer complexation results in a formation of 2-Apyt complexes. Copper(I) ion in both 1 and 2 complexes is coordinated by allylic C=C bond, one pyridyl and one tetrazole N atoms. In both structures Cu+ center adopts distorted tetrahedral surrounding, being additionally coordinated by oxygen of NO3- in 1 and H2O moiety in 2. Coordination of bridging nitrate anion causes the dimeric [Cu(2-Apyt)NO3]2 fragment formation, while participation of H2O in metal coordination leads to infinite {[Cu(2-Apyt)(H2O)]2+}n chain construction. To analyze interactions between the particles in 1 and 2 Hirshfeld surface analysis was performed.

Keywords

• copper(I)
• tetrazole
• π-complex
• isomer-selective complexation
• ac-technique
• crystal structure.