Collect. Czech. Chem. Commun.
2003, 68, 644-662
https://doi.org/10.1135/cccc20030644
A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
Pawel Rempala and Josef Michl*
Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309-0215, U.S.A.
Abstract
A plausible mechanism is proposed for the insertion of dichlorocarbene into [nido-B11H14]- to yield [closo-CB11H12]- and is supported by the results of density functional theory and ab initio calculations.
Keywords: Boranes; Boron clusters; Carboranes; Carbenes; Reaction mechanisms; Density functional calculations; DFT calculations; Ab initio calculations.
References: 30 live references.
