Electronic effect in C-H and C-C bond activation: state-specific reactions of Fe/sup +/(/sup 6/D, /sup 4/F) with methane, ethane, and propane
Journal Article
·
· J. Am. Chem. Soc.; (United States)
Reactions of atomic iron ions with methane, ethane, and propane are studied with guided ion beam mass spectrometry. By using different ion sources different electronic states of the ion can be prepared and studied in detail. The first excited state, Fe/sup +/(/sup 4/F), is more reactive than the ground state, Fe/sup +/(/sup 6/D), for all endothermic reactions in all three systems. This result is similar to recent observations of the reactions of these states with H/sub 2/. The different reactivities are explained by using simple molecular orbital arguments. In contrast, Fe/sup +/(/sup 4/F) reacts less efficiently than Fe/sup +/(/sup 6/D) in the exothermic reactions of ethane and propane below 0.5 eV but more efficiently at higher energies. This behavior is explained by a potential energy surface crossing that is avoided at low kinetic energies due to spin-orbit interactions and is permitted at higher energies. Finally, analysis of the threshold behavior of the endothermic reactions provides the bond dissociation energies, D/sup 0/(Fe/sup +/-CH/sub 3/) = 2.51 +/- 0.10 eV (57.9 +/- 2.4 kcal/mol) and D/sup 0/(FeH) = 1.98 +/- 0.13 eV (45.7 +/- 3.0 kcal/mol).
- Research Organization:
- Univ. of California, Berkeley
- OSTI ID:
- 5419319
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 110:2; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Isotope effects in trapping-mediated chemisorption of ethane and propane on Ir(110)
Journal Article
·
Thu Oct 23 00:00:00 EDT 1986
· J. Phys. Chem.; (United States)
·
OSTI ID:6962156
Effect of kinetic and electronic energy on the reactions of Co/sup +/, Ni/sup +/, and Cu/sup +/ with H/sub 2/, HD, and D/sub 2/
Journal Article
·
Wed Nov 19 23:00:00 EST 1986
· J. Phys. Chem.; (United States)
·
OSTI ID:7004575
Isotope effects in trapping-mediated chemisorption of ethane and propane on Ir(110)
Journal Article
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Sun Sep 01 00:00:00 EDT 1996
· Journal of Chemical Physics
·
OSTI ID:286920
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKANES
CARBON
CATIONS
CHARGED PARTICLES
CHEMICAL BONDS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DISSOCIATION ENERGY
ELEMENTS
ENERGY
ENERGY LEVELS
ETHANE
EXCITED STATES
EXPERIMENTAL DATA
GROUND STATES
HYDROCARBONS
HYDROGEN
INFORMATION
IONS
IRON
KINETICS
MASS SPECTROSCOPY
METALS
METHANE
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
PROPANE
REACTION KINETICS
SPECTROSCOPY
TRANSITION ELEMENTS
400201* -- Chemical & Physicochemical Properties
ALKANES
CARBON
CATIONS
CHARGED PARTICLES
CHEMICAL BONDS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DISSOCIATION ENERGY
ELEMENTS
ENERGY
ENERGY LEVELS
ETHANE
EXCITED STATES
EXPERIMENTAL DATA
GROUND STATES
HYDROCARBONS
HYDROGEN
INFORMATION
IONS
IRON
KINETICS
MASS SPECTROSCOPY
METALS
METHANE
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
PROPANE
REACTION KINETICS
SPECTROSCOPY
TRANSITION ELEMENTS