Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

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)
DOI:https://doi.org/10.1021/j100146a018· OSTI ID:5663060
;  [1]
  1. 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