To aidin inteqreting fhe experimental ionizati& potekials CNDO/Z calculatiox~~ gere cassied out asuming that-the ion had the. same geometry as the paren/ free radical. These caIcuI.atio~~ .&owed that theeIectron confiition for ClO, is . ..G b:a: pi: and for ClO; is . ..a. b: 4 with the lowest unoccu
The chlorine difluoride free radical
โ Scribed by G. Mamantov; D.G. Vickroy; E.J. Vasini; T. Maekawa; M.C. Moulton
- Publisher
- Elsevier Science
- Year
- 1970
- Weight
- 58 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0020-1650
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๐ SIMILAR VOLUMES
Equilibrium geometries of the ground 0: "A, ) and the first excited electronic state (%I& the barrier to linearity in the ground state, vertical excitation ener@es and associated osctitor strengths or Metties of various excited states have been calculated for the chlorine ditluoride radical CIFz by
Ab milio SCF and CI calculations usmg a double-zeta plus polarrwr~on bans SIX hdx,s been prrlormed on the chlorms difluoride cation (GIFT ) and the anion (CIF; ) to determine [heir ground-slate electrontc structure The ClF;l ran IF predfcwd lo have a suongly benr (G,) swucmre (bond angle -Leo) and t
The kinetics of chlorine atom abstraction from the chloromethanes (CM)CC14, CHCl3, and CHBCl2 by radiolytically generated cyclohexyl radicals has been studied in the liquid phase by a competitive method. The halogen abstraction data have been put on an absolute basis by comparing the rates of the me