Thermal Decomposition of Furan Generates Propargyl Radicals
The thermal decomposition of furan has been studied by a 1 mm x 2 cm tubular silicon carbide reactor, C{sub 4}H{sub 4}O + {Delta} {yields} products. Unlike previous studies, these experiments are able to identify the initial furan decomposition products. Furan is entrained in either He or Ar carrier gas and is passed through a heated (1600 K) SiC tubular reactor. Furan decomposes during transit through the tubular reactor (approximately 65 {micro}s) and exits to a vacuum chamber. Within one nozzle diameter of leaving the nozzle, the gases cool to less than 50 K, and all reactions cease. The resultant molecular beam is interrogated by photoionization mass spectroscopy as well as infrared spectroscopy. Earlier G2(MP2) electronic structure calculations predicted that furan will thermally decompose to acetylene, ketene, carbon monoxide, and propyne at lower temperatures. At higher temperatures, these calculations forecast that propargyl radical could result. We observe all of these species (see Scheme 1). As the pressure in the tubular reactor is raised, the photoionization mass spectra show clear evidence for the formation of aromatic hydrocarbons.
- Research Organization:
- National Renewable Energy Laboratory (NREL), Golden, CO.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 1021216
- Journal Information:
- Journal of Physical Chemistry A, Journal Name: Journal of Physical Chemistry A Journal Issue: 30, July 2009 Vol. 113
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
59 BASIC BIOLOGICAL SCIENCES
ACETYLENE
AROMATICS
Bioenergy
CARBON MONOXIDE
ELECTRONIC STRUCTURE
FURANS
GASES
MASS SPECTRA
MASS SPECTROSCOPY
MOLECULAR BEAMS
NOZZLES
PHOTOIONIZATION
PROPARGYL RADICALS
PROPYNE
PYROLYSIS
SILICON CARBIDES
SPECTROSCOPY