Synthesis of a dinuclear bis(μ-tetrazolato)dicobalt(III) Schiff base complex via tandem 1,3-dipolar cycloaddition: Formation of a supramolecular 1D polymer by the combination of the H-bonds, π-stacking, and π-hole interactions

A dinuclear and bis(μ-tetrazolato) bridged cobat (III) Schiff base complex, [(μ-N₃)(μ-MTZ){CoN₃(L)}₂] {where HL = ((2-(dimethylamino)ethylimino)methyl)-4-bromophenol, and HMTZ = 5-methyl tetrazolate}, has been synthesized by in situ 1,3-dipolar cycloaddition and characterized by elemental and spectral analysis, and by X-ray crystallography. The complex crystallizes in orthorhombic space group Pna2₁. The complex features a double μ-NN’-tetrazolato bridged dicobalt(III) structure, in which each cobalt(III) is octahedral being coordinated by a depronated NNO-donor terdentate Schiff base (L⁻) in meridional fashion, one terminal azide, one end-on bridging azide and one nitrogen atom of the bridging (MTZ)⁻. The ability of the three azide ligands to participate in H-bonding interactions as acceptor is analyzed using DFT calculations and several computational tools including MEP, QTAIM and NCIplot.