| Three structures involved in the Roger Brown rearrangement are butadiyne, ethynylvinylidene, and trialene. This study focuses on the Si and Ge derivatives of these three structures. Presented here are results of calculations on the C3SiH2, C2Si2H2, CSi 3H2, C3GeH2, C2Ge2 H2, and CGe3H2 species, which contain all of the Si and Ge analogs found in this research. Calculations have been carried out at the SCF and MP2-levels of theory with 6-31G** and 6-311G** basis sets for the Si and Ge analogs, respectively. The quantum chemistry programs used for these calculations are Parallel Quantum Solutions (PQS) and Gaussian98. This thesis attempts to discuss the main features of the potential surface of each species. |
