Photodissociation spectroscopy of the Mg+-acetic acid complex
Creators
- 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
- DOI
- 10.1063/1.2386156;
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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 38032908
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ACETIC ACID; DEHYDRATION; DISSOCIATION; GROUND STATES; MAGNESIUM COMPLEXES; MAGNESIUM IONS; MOLECULAR CLUSTERS; PHOTOLYSIS; QUENCHING; REACTION KINETICS; SPECTROSCOPY
- Descriptors DEC
- ALKALINE EARTH METAL COMPLEXES; CARBOXYLIC ACIDS; CHARGED PARTICLES; CHEMICAL REACTIONS; COMPLEXES; DECOMPOSITION; ENERGY LEVELS; IONS; KINETICS; MONOCARBOXYLIC ACIDS; ORGANIC ACIDS; ORGANIC COMPOUNDS; PHOTOCHEMICAL REACTIONS
Optional Information
- Notes
- (c) 2006 American Institute of Physics