A light harvesting mononuclear manganese(ii) complex: synthesis, characterization, DFT and TDDFT calculations and photophysical profile

Abstract

A new manganese(II) [Mn^II(DEMP)(NCS)(H₂O)] (DEMP = Schiff base derived from salicylaldehyde and 2-diethylaminoethylamine) complex has been synthesized and characterized by ESI-mass, IR, UV-vis, ¹H and ¹³C NMR, EPR and thermogravimetric analysis. The structure of the complex has been optimized by DFT and TDDFT calculations. The complex has been found to exhibit strong fluorescence emission in different solvents of various polarities which is characterized by longer lifetimes in more polar solvents, accompanied by a reasonably good quantum yield. The complex is capable of absorbing light ranging from 200–850 nm. Thus, the molecule contains light harvesting components that can harvest the entire range of sunlight falling on earth.