TRANS-DIMETHYLDISILYNE (SI2(CH3)2) - AN ACHIEVABLE SYNTHETIC TARGET

The trans, twist, and dimethyldisilavinylidene isomers of dimethyldisilyne have been studied at the configuration interaction level of theory, and the trans and dimethyldisilavinylidene are found to be minima. The relative energy of these two minima are evaluated with larger basis sets. Our final prediction of this energy difference is 12.0 kcal/mol with the trans-H3CSiSiCH3 being higher in energy. To aid in the prospective observation of the first potential silicon-silicon triple bond, the vibrational frequencies and infrared intensities are reported.