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


Cite this: J. Phys. Chem. A 2009, 113, 8, 1472–1474 Publication Date:January 30, 2009 https://doi.org/10.1021/jp807913c


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, ΔfH°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).

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