Vibrational-torsional excitation and direct overtone photodissociation of ethyl hydroperoxide at 5nuOH

The Journal of Physical Chemistry. a
Kristina D ClosserShizuka Hsieh

Abstract

We have observed OH radical products from the unimolecular dissociation of ethyl hydroperoxide (CH3-CH2OOH) excited to 5nuOH and have collected an action spectrum from 15,600 to 16,800 cm(-1) and an OH product state distribution at the maximum (16,119 cm(-1)). We use a vibrational-torsional model to simulate spectra in the 5nuOH region for the trans and gauche conformers. A combination of the two simulated spectra resembles the experimental action spectrum, provided that the trans conformer is assumed to dominate at room temperature. Energy disposal in the OH fragment yields an upper limit for the O-O bond dissociation energy at D0 < 44 kcal mol(-1).

References

Jan 11, 2005·The Journal of Chemical Physics·Christian DiedrichStefan Grimme
May 14, 2005·Proceedings of the National Academy of Sciences of the United States of America·Jamie MatthewsJoseph S Francisco
Dec 1, 2005·Journal of the American Chemical Society·Daryl L HowardHenrik G Kjaergaard
Dec 8, 2005·The Journal of Physical Chemistry. a·Hua HouBaoshan Wang
Jan 6, 2006·The Journal of Chemical Physics·Laura M HaynesShizuka Hsieh

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Citations

Nov 2, 2011·The Journal of Physical Chemistry. a·Shizuka HsiehRobert G Linck

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