Abstract

The bond dissociation enthalpies in n-silanes and n-germanes have been studied with the G2MP2 and G3B3 computational methods. The results have been compared with those of the corresponding n-alkanes. The differences observed in the three families of compounds have been rationalized using the calculated hyperpolarization effect in each family. In addition, the conformational profiles of X 2H 6 molecules, X = C, Si, and Ge, have been compared.

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