Chemistry of nuclear recoil18f atoms. vi. approximate energetics and molecular dynamics in ch3cf3

Kenneth A. Krohn, Norris J. Parks, John W. Root

Research output: Contribution to journalArticle

22 Scopus citations

Abstract

Energetics and molecular dynamics results are reported from an extensive set of high energy recoil 18F experiments with CH3CF 3. Based upon thermochemical evidence alone, substantial fractions of the primary hot F-for-H, F-for-CH3, and F-for-CF3 reaction products are indicated to involve minimum excitation energies of 7.9±0.2, 9.3±0.1, and 3.5±0.2 eV, respectively. The primary F-for-F reaction products in CH3CF3 do not exhibit unimolecular decomposition via a carbon-carbon bond scission mode in apparent violation of RRKM theoretical predictions. The primary F-for-H products decompose both via O elimination of HF and via carbon-carbon bond scission in apparent accord with theory. More than one kind of microscopic dynamics is involved in the primary hot F-for-H and F-for-CH3 processes in CH3CF3 and in the primary hot F-for-F process in CF 4. Direct, concerted, and collusive dynamics are required for the higher energy reaction modes for these processes.

Original languageEnglish (US)
Pages (from-to)5785-5794
Number of pages10
JournalThe Journal of Chemical Physics
Volume55
Issue number12
DOIs
StatePublished - 1971

ASJC Scopus subject areas

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

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