Collect. Czech. Chem. Commun. 2001, 66, 1375-1379

Charge Distribution Within 1,2-Dicarba-closo-dodecaborane: Dipole Moments of Its Phenyl Derivatives

Drahomír Hnyka,*, Václav Všetečkab, Ladislav Drožb and Otto Exnerc

a Institute of Inorganic Chemistry, Academy of Sciences of the Czech Republic, CZ-250 68 Řež, Czech Republic
b Department of Organic Chemistry, Charles University, Hlavova 2030, CZ-128 40 Prague 2, Czech Republic
c Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, CZ-166 10 Prague 6, Czech Republic


The dipole moment of 1,2-dicarba-closo-dodecaborane is oriented with the positive end towards the carbon atoms as follows from measurements on phenyl derivatives with variable substituents. Towards the phenyl group, the substituent 1,2-C2B10H11 behaves as a weak electron acceptor.

Keywords: Dipole moments; Carboranes; Boranes; Electronic structure; Charge distribution; Ab initio calculations.

References: 22 live references.