Carba-closo-dodecaborates - Synthesis, Structure, and Energetics

A full set of analytical data of salts (e.g., Me3NH+, Cs+, Ag+) bearing nido-[B11H14](-), closo-[CHB11H11](-), and chlorinated congener [CHB11Cl11](-) is reported. Structures and energetics of [CHB11H11-nXn](-) and [B12XmH12-m](2-) (n = 5, 11; m = 0, 12; X = halogen, CH3, CF3) and their protonated and silylated forms are studied. A direct correlation between theoretical calculated NICS values, gas-phase acidities, and experimentally determined C-13 NMR shifts is discussed.