Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO 2 fixation of mononuclear Co(III) complexes installed on modified Schiff base ligands.

A set of mononuclear cobalt(III) octahedral complexes {[Co(LH )(acac)] (Co-1H), [Co(LBr )(acac)] (Co-1Br), and [Co(LNO2 )(acac)] (Co-1NO2)} were synthesized using new-generation N/O donors, maleonitrile-tethered, tetradentate heteroscorpionate half-reduced Schiff base ligands, 2-(( E )-2-hydroxybenzylideneamino)-3-(pyridin-2-ylmethylamino)maleonitrile (H2LH), 2-(( E )-(5-bromo-2-hydroxybenzylidene)amino)-3-((pyridin-2-ylmethyl)amino)maleonitrile (H2LBr), and 2-(( E )-2-hydroxy-5-nitrobenzylideneamino)-3-(pyridin-2-ylmethylamino)maleonitrile (H2LNO2). All the compounds were well characterized spectroscopically and structurally. The non-covalent interactions present in the lattice of Co-complexes were studied in detail to explain the molecular architecture using the Hirshfeld surface (HS) analysis. The catalytic activity of CO2 fixation towards epoxides under mild and solvent-free conditions was demonstrated. The synthesized complexes are catalysts that are well-active towards the CO2 activation under ambient conditions, whereas most of the reported catalysts require harsh conditions.