Sulfur Lone Pairs Control Topology in Heterotrimetallic Complexes: An Experimental and Theoretical Study.

ABSTRACT: Heterotrimetallic complexes with (N₂S₂)M metallodithiolates, M = Ni²⁺, [Fe(NO)]²⁺, and [Co(NO)]²⁺, as bidentate chelating ligands to a central trans-Cr(NO)(MeCN) unit were characterized as the first members of a new class, NiCrNi, FeCrFe, CoCrCo. The complexes exhibit a cisoid structural topology, ascribed to the stereoactivity of the available lone pair(s) on the sulfur donors, resulting in a dispersed, electropositive pocket from the N/N and N/S hydrocarbon linkers wherein the Cr-NO site is housed. Computational studies explored alternative isomers (transoid and inverted cisoid) that suggest a combination of electronic and steric effects govern the geometrical selectivity. Electrostatic potential maps readily dis

SUBMITTER: Guerrero-Almaraz P 

PROVIDER: S-EPMC10704581 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature