Experimental and theoretical studies of acetatodi(methylcyano)bis(O,O′-dialkyl and alkylene dithiophosphate)gadolinium(III) novel adducts

Seven novel gadolinium complexes were synthesized and characterized. Theoretical Semi-Empirical Sparkle (PM6) and time dependent density functional theory (TD-DFT) have been investigated to shed the light on geometrical, electrical and optical invariants of complexes.67