Thermochemistry of gas phase CF2 reactions: A density functional theory study

Kenneth K.S. Lau, Karen K. Gleason, Bernhardt L. Trout

Research output: Contribution to journalArticlepeer-review

29 Scopus citations


The enthalpies of reaction and formation of gas phase fluorocarbons' reactions from the pyrolysis of hexafluoropropylene oxide (HFPO) are computed by the application of density functional theory. The pyrolysis of HFPO for the production of fluorocarbons proved to be an endothermic reaction. The polymerization of fluorocarbons established a linear relationship between the number of chain carbons and enthalpy of formation of fluorocarbons' chains.

Original languageEnglish (US)
Pages (from-to)4103-4108
Number of pages6
JournalJournal of Chemical Physics
Issue number10
StatePublished - Sep 8 2000
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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