Photodissociation pathways of 1,1-dichloroacetone

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

6 Scopus Citations
View graph of relations

Author(s)

  • Maria J. Krisch
  • M. Justine Bell
  • Benjamin L. FitzPatrick
  • Laura R. McCunn
  • Yi Liu
  • Laurie J. Butler

Detail(s)

Original languageEnglish
Pages (from-to)5968-5980
Journal / PublicationJournal of Physical Chemistry A
Volume111
Issue number27
Publication statusPublished - 12 Jul 2007

Abstract

We present a comprehensive investigation of the dissociation dynamics following photoexcitation of 1,1-dichloroacetone (CH 3COCHCl 2) at 193 nm. Two major dissociation channels are observed: cleavage of a C-Cl bond to form CH 3C(O)CHCl + Cl and elimination of HCl. The branching between these reaction channels is roughly 9:1. The recoil kinetic energy distributions for both C-Cl fission and HCl elimination are bimodal. The former suggests that some of the radicals are formed in an excited electronic state. A portion of the CH 3C(O)CHCl photoproducts undergo secondary dissociation to give CH 3 + C(O)CHCl. Photoelimination of Cl 2 is not a significant product channel. A primary C-C bond fission channel to give CH 3CO + CHCl 2 may be present, but this signal may also be due to a secondary dissociation. Data from photofragment translational spectroscopy with electron impact and photoionization detection, velocity map ion imaging, and UV-visible absorption spectroscopy are presented, along with G3//B3LYP calculations of the bond dissociation energetics. © 2007 American Chemical Society.

Citation Format(s)

Photodissociation pathways of 1,1-dichloroacetone. / Krisch, Maria J.; Bell, M. Justine; FitzPatrick, Benjamin L. et al.

In: Journal of Physical Chemistry A, Vol. 111, No. 27, 12.07.2007, p. 5968-5980.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review