Infrared multiphoton dissociation of three nitroalkanes
Infrared multiphoton dissociation in a molecular beam has been studied in order to elucidate the collision-free thermal chemistry and dynamics of nitromethane, nitroethane, and 2-nitropropane. The isomerization of CH/sub 3/NO/sub 2/ to CH/sub 3/ONO was observed by detecting the CH/sub 3/O and NO products from the dissociation of the internally very hot, isomerized nitromethane. A novel application of RRKM theory was used to estimate the barrier height to isomerization at 55.5 kcal/mol. This method for determining barrier heights shows how a microscopic molecular beam experiment, using infrared multiphoton dissociation where the concept of temperature has no place, can be quantitatively related to pyrolysis experiments which are conducted under collisional, thermal conditions and measure phenomenological quantities such as activation energies.
- Research Organization:
- Univ. of California, Berkeley
- OSTI ID:
- 5469526
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 90:16; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400500* -- Photochemistry
BEAMS
CHEMICAL EXPLOSIVES
CHEMICAL REACTIONS
DATA
DISSOCIATION
ELECTROMAGNETIC RADIATION
EXPERIMENTAL DATA
EXPLOSIVES
INFORMATION
INFRARED RADIATION
ISOMERIZATION
MASS SPECTROSCOPY
MATHEMATICAL MODELS
MEASURING INSTRUMENTS
MOLECULAR BEAMS
MULTI-PHOTON PROCESSES
NITRO COMPOUNDS
NITROMETHANE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
RADIATIONS
SPECTROMETERS
SPECTROSCOPY
TIME-OF-FLIGHT SPECTROMETERS