ic0c01557_si_002.xyz (98.66 kB)

CB11H10 and Related Carborenes

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posted 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.