Insights into metal ligand and metal metal interaction in coinage metal triangles. Insights of d10-d10, d10-d8 and d8-d8 contacts from [au3in(ch3n coch3)3] (n = 2, 4, 6) via relativistic dft calculations

Abstract

The successive addition of one, two and three equivalents of iodide to [Au-3(CH3N=COCH3)(3)], gives rise to the [Au3In(CH3N=COCH3)(3)] (n = 2, 4, 6) oxidized systems. Such structures have been studied by using scalar relativistic DFT calculations and TD-