Quantum-chemical calculations of thermodynamic parameters of the synthesis of tris(hydroxymethyl)phosphine

Thermodynamic characteristics of the process of tris(hydroxymethyl)phosphine synthesis are calculated by the Hartree-Fock-Roothaan method in the basises LANL2DZ and 6–31G. From the calculated data degrees of accumulation are found of the target product that correlate with experimental data. This fact can be taken into account at the choice of conditions for producing tris(hydroxymethyl)phosphine.