CB11H10– and Related Carborenes
datasetposted on 26.08.2020, 12:38 by Igor Rončević, Guillaume Bastien, Josef Cvačka, Jiří Kaleta, Josef Michl
Starting with HOOC-CB11Me11– or CB11Me12– as the starting material, collision-induced dissociation has produced a series of methylated analogs of didehydro-closo-carbadodecaborane anions by sequential losses of up to 5 equiv of ethylene. These reactive intermediates are carborane analogues of doubly pyramidalized alkenes and, more distantly, arynes. Density functional theory calculations have been used to develop a proposal for the mechanism of the unusual formation of ethylene from the carborane methyl substituents.
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collision-induced dissociationDensityseriestheory calculationsclosoRelated Carborenesethylenemechanismdidehydroaryneproposalpyramidalized alkenesmethylated analogsmaterialHOOC-CB 11carborane methyl substituentsformationreactive intermediatesCB 115 equivcarborane analoguescarbadodecaborane anionssequential losses