EXPERIMENTAL AND THEORETICAL STUDY OF A SANDWICH-LIKE PHENOXO-BRIDGED HETEROBIMETALLIC ZINC(II)–MANGANESE(III) 3-MeOSALPHEN COMPLEX

Abstract

A novel sandwich-like heterotrinuclear [Zn(II)2Mn(III)] complex, [{Zn(L)Cl}2Mn]Cl, has been constructed successfully from a bicompartmental 3-MeOSalphen ligand (H2L), N,N′-bis(3-methoxy-salicylidene)phenylene-1,2-diamine. The chemically obained structure was determined through single crystal X-ray diffraction and spectrochemical (IR and UV-Vis) analyses. The structural studies revealed that characteristic inner N2O2 compartment of H2L is occupied by Zn(II) atom and outer O2O2 compartment is coordinated by Mn(III) atom in the Zn(II)–Mn(III) complex. The Zn(II)–Mn(III) complex can be used as a potential light-emitting material owing to the fluorescent property. In addition, density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed to take insight of experimental electronic spectra. Interaction region indicator (IRI) analyses were calculated to show relative chemical bond changes before and after coordination.