1,2-Bis(3-methyl-imidazolin-2-ylium iodobromoselenanide)ethane: oxidative addition of IBr at the Se atom of a >C=Se group

M. C. Aragoni;ARCA, MASSIMILIANO;A. J. Blake;F. A. Devillanova;W. W. du Mont;A. Garau;ISAIA, FRANCESCO;LIPPOLIS, VITO;G. Verani;C. Wilson

2001-01-01

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Abstract

Almost linear I-Se-Br groups with d(Se−Br)>d(Se−I) occur in 1⋅2 IBr (see structure), 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.