Excited states and photodissociation of hydroxymethyl hydroperoxide

Eisfeld W, Francisco JS (2008)
JOURNAL OF CHEMICAL PHYSICS 128(17): 174304.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
The structure of hydroxymethyl hydroperoxide (HOCH2OOH) (HMHP) has been examined using coupled cluster and multireference configuration interaction methods to study the excited states and probable photodissociation products. The results are compared to experiments. The vertical excitation energies for several excited states of HOCH2OOH are presented as well as the excited state energies along the O-O, O-H, C-O, and C-H dissociation pathways. The results help in the interpretation of experimental UV absorption spectra and elucidate the photodissociation mechanism of HMHP under tropospheric conditions. (C) 2008 American Institute of Physics.
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Zeitschriftentitel
JOURNAL OF CHEMICAL PHYSICS
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128
Zeitschriftennummer
17
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174304
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Eisfeld W, Francisco JS. Excited states and photodissociation of hydroxymethyl hydroperoxide. JOURNAL OF CHEMICAL PHYSICS. 2008;128(17):174304.
Eisfeld, W., & Francisco, J. S. (2008). Excited states and photodissociation of hydroxymethyl hydroperoxide. JOURNAL OF CHEMICAL PHYSICS, 128(17), 174304. doi:10.1063/1.2909547
Eisfeld, W., and Francisco, J. S. (2008). Excited states and photodissociation of hydroxymethyl hydroperoxide. JOURNAL OF CHEMICAL PHYSICS 128, 174304.
Eisfeld, W., & Francisco, J.S., 2008. Excited states and photodissociation of hydroxymethyl hydroperoxide. JOURNAL OF CHEMICAL PHYSICS, 128(17), p 174304.
W. Eisfeld and J.S. Francisco, “Excited states and photodissociation of hydroxymethyl hydroperoxide”, JOURNAL OF CHEMICAL PHYSICS, vol. 128, 2008, pp. 174304.
Eisfeld, W., Francisco, J.S.: Excited states and photodissociation of hydroxymethyl hydroperoxide. JOURNAL OF CHEMICAL PHYSICS. 128, 174304 (2008).
Eisfeld, Wolfgang, and Francisco, Joseph S. “Excited states and photodissociation of hydroxymethyl hydroperoxide”. JOURNAL OF CHEMICAL PHYSICS 128.17 (2008): 174304.

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OH-stretch vibrational spectroscopy of hydroxymethyl hydroperoxide.
Fry JL, Matthews J, Lane JR, Roehl CM, Sinha A, Kjaergaard HG, Wennberg PO., J Phys Chem A 110(22), 2006
PMID: 16737255

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Roehl, Atmos Chem Phys 7(), 2007

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