Estimation of zero-point energies of bromo and thio compounds

Abstract

Zero-point energy increments for bromine and sulphur atoms are established in this work. These increments enable the zeropoint energies of bromo and thio compounds to be calculated via the Schulman-Disch empirical formula. The calculated zeropoint energies for 89 molecules correlate well with literature values. The rms deviations for 46 bromo molecules and 43 thio compounds are 1.1 and 1.2 kcal mol , respectively.