Tunneling effect on hydrogen abstraction by hydrogen atoms and their trapping in some hydrocarbons irradiated at low temperature

Journal Article · Thu Sep 21 04:00:00 EDT 1978 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100508a003· OSTI ID:6596881

Toriyama, K; Iwasaki, M

The tunneling corrections for the rate constants of hydrogen abstraction by hydrogen atoms below 77/sup 0/K have been calculated for the reactions with methane, ethane, propane, and isobutane assuming gas phase activation energies and frequency factors. It has been shown that the use of the unsymmetrical Eckart potential function is effective in reproducing half-lives which are consistent with the experimental results that thermalized hydrogen atoms are not trapped even at 4.2/sup 0/K in irradiated alkanes other than methane. Qualitative trends for the effects of the structural and isotopic difference on the tunneling abstraction rate constants have been discussed based on these calculations. The results indicate that thermal H and D atoms may not be easily trapped even at 4.2/sup 0/K in protiated alkanes other than CH/sub 4/, while H and D atoms might be trapped in some deuterated alkanes other than CD/sub 4/. This was confirmed by detecting the ESR signal from trapped D atoms in C/sub 2/D/sub 6/ irradiated at 4.2/sup 0/K.

• Research Organization: Government Industrial Research Inst., Nagoya, Japan
• OSTI ID: 6596881
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 82:19; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

2-METHYLPROPANE
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400600* -- Radiation Chemistry
ALKANES
BARYONS
CHEMICAL RADIATION EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
CRYOGENIC FLUIDS
DECOMPOSITION
DEUTERIUM
ELEMENTARY PARTICLES
ELEMENTS
ETHANE
FERMIONS
FLUIDS
HADRONS
HYDROCARBONS
HYDROGEN
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
LOW TEMPERATURE
METHANE
NONMETALS
NUCLEI
NUCLEONS
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
PROPANE
PROTONS
RADIATION CHEMISTRY
RADIATION EFFECTS
RADIOLYSIS
STABLE ISOTOPES
TRAPPED PROTONS
TRAPPING