Published November 14, 2006 | Version v1
Journal article

Photodissociation spectroscopy of the Mg+-acetic acid complex

  • 1. Department of Physics and Astronomy, University of Iowa, Iowa City, Iowa 52242 and Optical Science and Technology Center, University of Iowa, Iowa City, Iowa 52242 (United States)

Description

We have studied the structure and photodissociation of Mg+-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC2H4O2]+ complex. These isomers include the cis and trans forms of the Mg+-acetic acid association complex with Mg+ bonded to the carbonyl O atom of acetic acid, the Mg+-acetic acid association complex with Mg+ bonded to the hydroxyl O atom of acetic acid, or to a Mg+-ethenediol association complex. Photodissociation through the Mg+-based 3p<-3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg+, MgOH+, Mg(H2O)+, CH3CO+, and MgCH3+. At low energies the dominant reactive quenching pathway is through dehydration to Mg(H2O)+, but additional reaction channels involving C-H and C-C bond activation are also open at higher energies

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
125
Journal Issue
18
Journal Page Range
p. 184310-184310.8
ISSN
0021-9606
CODEN
JCPSA6

Optional Information

Notes
(c) 2006 American Institute of Physics