A theoretical study of the heats of formation of silicon hydride (SiHn), silicon chloride (SiCln), and silicon hydride chloride (SiHnClm) compounds

Energies from ab initio electronic structure calculations, combined with empirically derived bond correction factors for Si-H and Si-Cl bonds, have been used to derive a consistent set of heats of formation for the complete set of SiH/sub n/, SiCl/sub n/ (n less than or equal to 4), and SiH/sub n/Cl/sub m/ (n + m less than or equal to 4) species. The derived values are generally in agreement with literature values. However, some changes in currently accepted heats of formation are recommended. 93 references, 4 figures, 5 tables.