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- W2156986888 abstract "The standard heats of formation of carbonyl, formyl and trifluoroacetyl fluorides determined from a variety of isodesmic reactions with the 6-31 G(d) basis set were −146.7±1.7, −91.0±0.5 and −248.1±1.0 kcal mol −1 , respectively. The first two values agree within error limits with previous values from high level correlated methods. An explanation is advanced for the discrepancy between calculated and experimental heats of carbonyl fluoride and an alternative experimental procedure outlined. A number of auxiliary heats needed in the above calculation are reported in particular a new value for trans diazene of 38.9±1.1 kcal mol −1 . The stabilisations on fluorination of methylene groups in ethene, methylene imine (formaldimine) and formaldehyde are compared." @default.
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- W2156986888 date "1999-07-01" @default.
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- W2156986888 title "Heats of formation of carbonyl, formyl and trifluoroacetyl fluorides" @default.
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- W2156986888 doi "https://doi.org/10.1016/s0022-1139(99)00067-6" @default.
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