A new end-on (μ1,1) azido bridged [Zn2(L)2(Na)N3]n 1D chain derived from a trinuclear zinc complex: syntheses, crystal structures, photoluminescence properties and DFT study

Abstract

A bicompartmental N2O4 donor symmetric Schiff base ligand has been deployed to synthesize a trinuclear zinc complex [Zn3(L)2Cl2], which upon treatment with sodium azide produces a new μ1,1-azido-bridged 1-D polymer [Zn2(L)2(Na)N3]n. Both complexes have been characterized using IR, NMR, UV–vis, and X-ray diffraction techniques. In order to have better understanding of electronic transitions of the complexes, a time-dependent DFT study has been performed. Lifetime measurements have also been performed to learn about the stability of excited states of both complexes. The average fluorescence decay lifetime has been found to be 1.42 and 0.59 ns for 1 and 2, respectively. In Hirshfeld surface mapping, X⋯H/H⋯X (X = O, Cl) contacts are found to be only 2.7% of the total surface, which indicates that no significant X⋯H/H⋯X contacts are present in either of the complexes. Unconventional interactions such as C–H⋯π and π⋯π stacking interactions are found in supramolecular architectures of both complexes.