Synthesis, structure, theoretical calculation and photocatalytic property of a novel Mn(II) supra-molecular compound containing SCN- and 2,2′-bipyridine ligands

Abstract

A novel supra-molecular compound [Mn(SCN)2(byp)2] 1 (byp = 2,2′-bipyridine) was synthesized under hydrothermal conditions. Noteworthily, the SCN- in the title compound is derived from the in situ reaction of salicylaldehyde thiosemicarbazone. X-ray single-crystal diffraction analysis shows compound 1 is only a mononuclear structure, but it is expanded into a 3D supramolecular structure via H-bonds and π···π stacking. Hirshfeld Surface analysis shows C⋯H, H⋯H and S⋯H interaction are the main contribution of intermolecular interactions in the formation of compound 1. All of title compounds were characterized by IR spectroscopy, elemental analysis, XRD, XPS and TG analysis. The energy framework of compound 1 is dominated by dispersion interaction. The photocatalytic degradation ability of compound 1 for methylene blue is verified by photocatalytic degradation experiments (pH = 4: 44.6 %; pH = 7: 76.2 %; pH = 10: 78.8 %). Furthermore, the potential photocatalytic mechanism of compound 1 is inferred by UV–vis absorption spectra and Mott–Schottky curve.