1,2-Bis(3-methyl-imidazolin-2-ylium iodobromoselenanide)ethane: Oxidative Addition of IBr at the Se Atom of a >C=Se Group

Angew Chem Int Ed Engl. 2001 Nov 19;40(22):4229-4232. doi: 10.1002/1521-3773(20011119)40:22<4229::AID-ANIE4229>3.0.CO;2-G.

Abstract

Almost linear I-Se-Br groups with d(Se-Br)>d(Se-I) occur in 1⋅2 IBr, the first "T-shaped" Se adduct with IBr, which was synthesized by the oxidative addition of IBr to 1,2-bis(3-methylimidazoline-2-selonyl)ethane (1) in MeCN. Density functional theory calculations indicate the intramolecular Br⋅⋅⋅H interactions as being responsible for the peculiar structural features of the I-Se-Br groups.

Keywords: Se ligands; density functional calculations; donor-acceptor systems; halogens; hypervalent compounds.