Journal of Physical Chemistry, Vol.99, No.36, 13422-13425, 1995
Ab-Initio Characterization of Hoclo3 and Ho4Cl - Implications for Atmospheric Chemistry
The equilibrium structure, harmonic vibrational frequencies, and infrared intensities of HOClO3 and HO4Cl are determined using ab initio methods. The heat of formation at 0 K of HOClO3 and HO4Cl is determined(using G2 theory) as 10.8 +/- 3 and 22.7 +/- 3 kcal mol(-1), respectively. The HOClO3 is found to be stable.