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Heat of formation of HO sub 2. A direct determination from guided ion beam studies of O sub 2 sup + ( sup 2 PI sub g ,v=0) + CH sub 4

Journal Article · · Journal of Physical Chemistry; (USA)
DOI:https://doi.org/10.1021/j100374a007· OSTI ID:6514445
;  [1]
  1. Univ. of Utah, Salt Lake City (USA)

The heat of formation of the hydroperoxyl radical, HO{sub 2}, and the ionization energy of methane, IE(CH{sub 4}), are measured directly, by using guided ion beam mass spectrometry to study the reaction of O{sub 2}{sup +}({sup 2}{Pi}{sub g},{nu}=0) + CH{sub 4}. The O{sub 2}{sup +} ions are produced in a flow tube source and are shown to be completely thermalized. The thermodynamic values derived are IE(CH{sub 4}) = 12.54 {plus minus} 0.07 eV, {Delta}{sub f}H{sub 298}(HO{sub 2}) = 3.8 {plus minus} 1.2 kcal/mol, D{sub 298}{degree}(H-OO) = 48.3 {plus minus} 1.2 kcal/mol, and D{sub 298}{degree}(H-OOH) = 88.4 {plus minus} 1.2 kcal/mol (where the uncertainties represent our 95% confidence limits). The present values are compared to prior experimental and theoretical values.

OSTI ID:
6514445
Journal Information:
Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:11; ISSN 0022-3654; ISSN JPCHA
Country of Publication:
United States
Language:
English