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

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

doi:10.1063/1.1288378

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 journal › Article › peer-review

29 Scopus citations

Abstract

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 language	English (US)
Pages (from-to)	4103-4108
Number of pages	6
Journal	Journal of Chemical Physics
Volume	113
Issue number	10
DOIs	https://doi.org/10.1063/1.1288378
State	Published - Sep 8 2000
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1288378

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AU - Trout, Bernhardt L.

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AB - 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.

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

Abstract

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