Low-Lying Electronic States and Revised Thermochemistry of TiCl, TiCl 2, and TiCl3

Abstract

Thermochemical analyses of gaseous equilibrium data involving the species TiCl, TiCl₂, and TiCl₃ were revised with the aid of more recent information on the low-lying electronic states, yielding more reliable values for the enthalpies of formation, Δ_fH°₂₉₈, of 40.9, −49.0, and −121.5 kcal mol⁻¹, all ±2 kcal mol⁻¹, for gaseous TiCl, TiCl₂, and TiCl₃, respectively. The new thermochemical data are in good agreement with the results of recent theoretical calculations, but they differ from earlier experimental results involving the reactions of Ti (s), TiCl₂(s, g), TiCl₃(s, g) and TiCl₄(g).