✦ LIBER ✦

An examination of the heats of formation for CH3CO and CF3CO radicals

✍ Scribed by J.S. Francisco; N.J. Abersold

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 399 KB
Volume: 187
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)80265-y

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✦ Synopsis

The heats of formation for CHsCO and CFsCO molecules have been determined using ab initio molecular orbital calculations from isodesmic schemes. The heat of formation for CHJCO has been calculated as -4.2 +2 kcal mol-', which is in good agreement with experiment and that for CF,CO as -139.9 f 2 kcal mol-' at 298 K.

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