Heat of formation of CH[sub 2]OH and D[sub 0](H-CH[sub 2]OH)
Journal Article
·
· Journal of Physical Chemistry; (United States)
- Argonne National Lab., IL (United States)
The appearance potential (AP) of CH[sub 2]OH[sup +] from CH[sub 3]OH has been reexamined by photoionization mass spectrometry, using higher resolution, better statistics, and a more extensive analysis. The result, AP(CH[sub 2]OH[sup +]/CH[sub 3]OH) = 11.649 [plus minus] 0.003 eV, when combined with IP(CH[sub 2]OH) = 7.549 [plus minus] 0.006 eV, D[sub 0](H-CH[sub 2]OH) = 395.6 [plus minus] 0.6 kJ/mol. Other quantities which can be derived from this value include D[sub 298], [Delta]H[sub f][degrees] (CH[sub 2]OH) at 0 and 298 K and the proton affinity of CH[sub 2]O. A prior thermochemically deduced valued for [Delta]H[sub f][degrees][sub 298] (CH[sub 2]OH) is corrected utilizing a hindered rotor in calculating S[degrees][sub 298](CH[sub 2]OH). The revised value, [Delta]H[sub f][degrees][sub 298](CH[sub 2]OH) = [minus]12.2 [plus minus] 1.7 kJ/mol, still differ from the present value, [minus]16.6 [plus minus] 0.9 kJ/mol, but a recent high-quality ab initio calculation is in good agreement with the present result. 27 refs., 2 figs., 1 tab.
- OSTI ID:
- 5663060
- Journal Information:
- Journal of Physical Chemistry; (United States), Journal Name: Journal of Physical Chemistry; (United States) Vol. 97:44; ISSN JPCHAX; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
10 SYNTHETIC FUELS
100300* -- Synthetic Fuels-- Properties & Composition-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400201 -- Chemical & Physicochemical Properties
ALCOHOLS
CHARGED PARTICLES
DATA
ENTHALPY
ENTROPY
EXPERIMENTAL DATA
FORMATION HEAT
HYDROXY COMPOUNDS
INFORMATION
IONS
MASS SPECTROSCOPY
METHANOL
NUMERICAL DATA
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
SPECTROSCOPY
THERMODYNAMIC PROPERTIES
100300* -- Synthetic Fuels-- Properties & Composition-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400201 -- Chemical & Physicochemical Properties
ALCOHOLS
CHARGED PARTICLES
DATA
ENTHALPY
ENTROPY
EXPERIMENTAL DATA
FORMATION HEAT
HYDROXY COMPOUNDS
INFORMATION
IONS
MASS SPECTROSCOPY
METHANOL
NUMERICAL DATA
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
SPECTROSCOPY
THERMODYNAMIC PROPERTIES