Quantum-Chemical Study of Silicon Halide Adducts with Nitrogen-containing Donors: III.~1 Energy Effects of Ammonolysis and Complex-Formation Reactions in Silicon Tetrahalide-Ammonia Systems

摘要

Thermodynamic characteristics of hydrogen halide elimination from SiX_4-NH_3 systems were calculated by the B3LYP density functioanl method. The role of adducts and oligomeric forms of compounds containing Si-N bonds, as intermediates in the chemical vapor deposition of silicon nitride, was considered. It was experimentally that the reaction between silicon tetrachloride and ammonia in non-aqueous solvents involves ammonolysis.