Application of the MNDO semiempirical MO method to isomer sets among substituted c/aso-2,4-C2B5H7 compounds is used to predict relative stabilities. Specifically, the MNDO-derived stabilities for the carboranes S-CH3-c/oío-2,4-C2B5H6 (three isomers), B-Cl-c/oro-2,4-C2B5H6 (three isomers), B,B',-X2-c'/oro-2,4-C2B5H5 (X = CH3, Cl; five isomers each), and B-CH}-B'-C\-closo-2,4-C2B5H5 (eight isomers) are correlated with experimental data obtained from thermal rearrangement-equilibration studies. In general, the MNDO order of stabilities, within each isomer set, parallel the experimental observations. Also, there is good concurrence of MNDO-predicted dipole moments with experimental volatilities.
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