Collect. Czech. Chem. Commun. 2003, 68, 644-662

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.


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.