Thermochemistry and dissociation dynamics of state-selected C/sub 4/H/sub 8/O/sub 2//sup +/ ions. 3. Ethyl acetate
The photoionization efficiency curves and appearance energies of C/sub 4/H/sub 8/O/sub 2//sup +/, C/sub 3/H/sub 5/O/sub 2//sup +/, C/sub 4/H/sub 6/O/sup +/, C/sub 2/H/sub 5/O/sub 2//sup +/, C/sub 2/H/sub 5/O/sup +/, C/sub 2/H/sub 3/O/sup +/, and C/sub 2/H/sub 5//sup +/ from ethyl acetate have been obtained. Structures and heats of formation of some of the ions are proposed. The ethyl acetate ion was found to be metastable in the vicinity of the first dissociation onset producing C/sub 4/H/sub 6/O/sup +/ (m/e 70) and H/sub 2/O. The decay rates as a function of parent ion internal energy were measured betwen 10.4 and 10.7 eV. The comparison of the observed rates with those calculated by use of the RRKM/QET statistical theory indicates that the the ethyl acetate ion isomerizes to a more stable ion prior to dissociation. The isomerized structure is neither that of dioxane nor butanoic acid, but may be the enol tautomer of ethyl acetate.
- Research Organization:
- Univ. of North Carolina, Chapel Hill
- OSTI ID:
- 7059878
- Journal Information:
- J. Phys. Chem.; (United States), Vol. 86:5
- Country of Publication:
- United States
- Language:
- English
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Thermochemistry and dissociation dynamics of state-selected C/sub 4/H/sub 8/O/sub 2//sup +/ ions. 2. Butanoic acid
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACETIC ACID ESTERS
PHOTOIONIZATION
THERMODYNAMIC PROPERTIES
CATIONS
CHEMICAL REACTIONS
DIOXANE
DISSOCIATION
DYNAMICS
EFFICIENCY
EXPERIMENTAL DATA
FRAGMENTATION
ISOMERS
METASTABLE STATES
CARBOXYLIC ACID ESTERS
CHARGED PARTICLES
DATA
ENERGY LEVELS
ESTERS
EXCITED STATES
HETEROCYCLIC COMPOUNDS
INFORMATION
IONIZATION
IONS
MECHANICS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
400500* - Photochemistry
400301 - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)