Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5-dithiolate: Syntheses, structures, magnetic properties and theoretical analyses

Three new molecular solids, (ADP)2[Ni(dmit)2]2 (1), (BDP)[Ni(dmit)2]·CH3COCH3 (2) and (CP)2[Ni(dmit)2]3 (3), were synthesized and characterized. Although the geometry of the cation is essentially identical, the overlapping fashion of the neighboring Ni(dmit)2 anions are different. Their magnetic properties and theoretical analyses were also explored.