Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12−

Comparison between the calculated anharmonic IR spectra of B3H8− and Mg(B3H8)2. The BH stretching modes of B3H8− around 2500 cm−1 are split in Mg(B3H8)2 into the BHouter and BHinner stretching modes, the BHouter stretching modes being at higher frequencies than the BHinner stretching modes. The BHbridging stretching modes have even lower frequencies than the BHinner stretching modes.140