A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion

Proton-transfer reactions involving the silaformyl anion, HSiO-, and its conjugate acids, HSiOH and H2SiO, have been investigated with ab initio methods. Calculations through fourth-order perturbation theory suggest possible routes for proton transfer. Accurate estimates for the acidity of H2SiO and HSiOH are presented and discussed in light of earlier experimental estimates. Disciplines Chemistry Comments Reprinted (adapted) with permission from Journal of the American Chemical Society 120 (1998): 2124, doi:10.1021/ja9722077. Copyright 1998 American Chemical Society. This article is available at Iowa State University Digital Repository: http://lib.dr.iastate.edu/chem_pubs/312 A Computational Study of the Proton-Transfer Chemistry of the