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Theoretical study of the C-H bond dissociation energies of CH4, C2H2, C2H4, and H2C2OThe successive C-H bond dissociation energies of CH4, C2H2, C2H4, and H2C2O (ketene) are determined using large-basis sets and a high level of correlation treatment. For CH4, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using these results, the values 107.9 + or - 2.0 and 96.7 + or - 2.0 kcal/mol are recommended for the C-H bond dissociation energies of H2C2O and HC2O, respectively.
Document ID
19910051307
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Langhoff, Stephen R.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 15, 2013
Publication Date
February 15, 1991
Publication Information
Publication: Chemical Physics Letters
Volume: 177
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
91A35930
Distribution Limits
Public
Copyright
Other

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