Quantum-Chemical Calculation of the Thermodynamics of Multistep Hydrolysis of MX4 Molecules (M = C, Si, Ge; X = H, F, Cl) in the Gas Phase

The standard enthalpies, entropies, and Gibbs free energies of separate stages of the multistep hydrolysis of MX 4 molecules (M = C, Si, Ge; X = H, F, Cl) in the gas phase at 298 K were calculated by the G3 high-precision quantum-chemical method of calculation of thermodynamic parameters. The trends in these parameters were analyzed for each group of molecules. The calculated thermodynamic parameters make it pos- sible to estimate the theoretical limits for the contents of water and hydrolysis products in the above high-purity carbon, silicon, and germanium derivatives.