A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se.

Two new dinuclear cadmium(II) complexes, [Cd(L 1 ) 2 Cd(SeCN-κ-Se) 2 ] ( 1 ) and [Cd(L 2 ) 2 Cd(SeCN-κ-Se) 2 ] ( 2 ), where HL 1 = {2-(3-(dimethylamino)propyliminomethyl)-6-methoxyphenol} and HL 2 = {2-(3-(dimethylamino)propyliminomethyl)-6-ethoxyphenol}, have been prepared and characterized by elemental and spectral analysis and single crystal X-ray diffraction studies. Both complexes contain cadmium-selenium bonds. Non-covalent interactions were also investigated using DFT calculations at the BP86-D3/def2-TZVP level of theory. Both complexes show florescence upon irradiation with visible light. [ABSTRACT FROM AUTHOR]