Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH2OO

Lehman, Julia H.; Li, Hongwei; Beames, Joseph M.; Lester, Marsha I.

doi:10.1063/1.4824655

Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH₂OO

Journal Article · Fri Oct 11 04:00:00 EDT 2013 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4824655· OSTI ID:1598546

Lehman, Julia H. ^[1]; Li, Hongwei ^[2]; Beames, Joseph M. ^[2]; Lester, Marsha I. ^[2]

Univ. of Pennsylvania, Philadelphia, PA (United States); University of Pennsylvania
Univ. of Pennsylvania, Philadelphia, PA (United States)

Here, the velocity and angular distributions of O ¹D photofragments arising from UV excitation of the CH₂OO intermediate on the B¹A' ← X¹A' transition are characterized using velocity map ion imaging. The anisotropic angular distribution yields the orientation of the transition dipole moment, which reflects the π* ← π character of the electronic transition associated with the COO group. The total kinetic energy release distributions obtained at several photolysis wavelengths provide detail on the internal energy distribution of the formaldehyde cofragments and the dissociation energy of CH₂OO X¹A' to O 1D + H₂CO X¹A₁. A normal termination of the total kinetic energy distributions, after accounting for the different excitation energies, gives an upper limit for the CH2OO X¹A' dissociation energy of D₀ ≤ 54 kcal mol-¹, which is compared with theoretical predictions including high level multi-reference ab initio calculations.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)

Grant/Contract Number:: FG02-87ER13792

OSTI ID:: 1598546

Alternate ID(s):: OSTI ID: 22224135

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 14 Vol. 139; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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The UV absorption spectrum of the simplest Criegee intermediate CH ₂ OO Ting, Wei-Lun; Chen, Ying-Hsuan; Chao, Wen Phys. Chem. Chem. Phys., Vol. 16, Issue 22 https://doi.org/10.1039/c4cp00877d	journal	January 2014
A kinetic study of the CH ₂ OO Criegee intermediate self-reaction, reaction with SO ₂ and unimolecular reaction using cavity ring-down spectroscopy Chhantyal-Pun, Rabi; Davey, Anthony; Shallcross, Dudley E. Physical Chemistry Chemical Physics, Vol. 17, Issue 5 https://doi.org/10.1039/c4cp04198d	journal	January 2015
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