Photoionization of HOCO revisited : a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation.
Journal Article
·
· Chem. Phys. Lett.
A new upper limit to the adiabatic ionization energy of trans-hydroxyoxomethyl, EI(t-HOCO){<=}8.195{+-}0.022 eV, is provided, producing a lower limit to the enthalpy of formation, {Delta}H{sub f 0}{sup o}(t-HOCO){>=}-45.8{+-}0.7 kcal/mol ({>=}-46.5{+-}0.7 kcal/mol at 298 K). The spectrum shows progressions in C{double_bond}O and C-O stretches of HOCO{sup +} and provides evidence for the excitation of OCO bend. In addition, the data tentatively suggest an ionization onset as low as 8.06{+-}0.03 eV. While it is not clear whether the latter corresponds to cis or trans isomer, it may indicate that {Delta}H{sub f 0}{sup o}(HOCO) is even higher.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC02-06CH11357
- OSTI ID:
- 942743
- Report Number(s):
- ANL/CHM/JA-34151; CHPLBC; TRN: US200922%%582
- Journal Information:
- Chem. Phys. Lett., Vol. 316, Issue 1-2 ; Jan. 7, 2000; ISSN 0009-2614
- Country of Publication:
- United States
- Language:
- ENGLISH
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