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The heat of formation of the CF3CO radical: a note of caution

โœ Scribed by J.A. Kerr


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
109 KB
Volume
201
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


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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

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The heats of formation of the trifluoromethanol (CFrOH) and carbonic difluoride (CFrO) molecules are calculated with theoretical methods of demonstrated high accuracy. The results are used to assess the accuracy of the reported value of the heat of formation of CF,O and to provide an accurate estima

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CF 3 O 2 CF 3 was photolyzed at 254 nm in the presence of CO in 760 torr N 2 or air at 296 K in a static reactor. In N 2 , the products CF 3 OC(O)C(O)OCF 3 and CF 3 OC(O)O 2 C(O)OCF 3 were detected by FTIR spectroscopy. In air, the only observed products were CF 2 O and CO 2 and a chain process, ini