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

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

Research output: Contribution to journalArticle

22 Citations (Scopus)

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
StatePublished - 1971
Externally publishedYes

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Molecular dynamics
Carbon
chemistry
molecular dynamics
Atoms
carbon
Reaction products
reaction products
atoms
cleavage
Excitation energy
energy
elimination
Decomposition
decomposition
products
predictions
excitation
Experiments

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Chemistry of nuclear recoil18f atoms. vi. approximate energetics and molecular dynamics in ch3cf3. / Krohn, Kenneth; Parks, Norris J.; Root, John W.

In: The Journal of Chemical Physics, Vol. 55, No. 12, 1971, p. 5785-5794.

Research output: Contribution to journalArticle

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