title: Synthesis, characterization, and computational studies of 6-(RR'N)-nido-5,7-C2B8H11: a polyborane cluster with a cage-boron having an exopolyhedral dative boron-nitrogen double bond.
abstract: The reactions of the arachno-4,6-C 2B 7H 13 carborane with the secondary and primary amines, Me 2NHBH 3 and ( t )BuNH 2BH 3, in ionic liquid media result in both boron-insertion into the cage at a position across the two cage-carbons and additional hydrogen-elimination via the reaction of a hydridic B-H with a protonic amine N-H hydrogen to produce the 6-(RR'N)- nido-5,7-C 2B 8H 11 carboranes. Computational characterizations of these compounds and the previously reported 6-ClC 6H 4-9-(RR'N)- nido-6-NB 9H 10 azaboranes indicate that the amine-nitrogens form unique exopolyhedral dative BN double bonds with a cage-boron.
authors.affiliation: Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA.
authors.forename: Yuqi
authors.initials: Y
authors.lastname: Li
authors.forename: Larry G
authors.initials: LG
authors.lastname: Sneddon