A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion
Reprinted (adapted) with permission from Journal of the American Chemical Society 120 (1998): 2124, doi:10.1021/ja9722077. Copyright 1998 American Chemical Society.
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.