Fundamental studies of carbenes and hydrocarbon radicals

Technical Report · Mon Apr 01 00:00:00 EST 1991

OSTI ID:5939969

Thaddeus, P; Gottlieb, C

Our research program provides definitive spectroscopic identification, highly accurate spectroscopic constants in the lowest vibrational states of the ground electronic state, and accurate structures of many of the important reactive intermediates in combustion chemistry. In the production of polycyclic aromatic hydrocarbons and soot in flames of aliphatic fuels, the rate controlling steps are the reactions responsible for ring formation. Mechanisms of these key reactions not yet understood, are believed to involve highly reactive hydrocarbons that result from pyrolysis of the fuel, but little is known about most of these reactive species and their structures have generally not yet been determined. What is needed is high resolution spectroscopy, best achieved between the microwave and ir region of the spectrum (i.e., the millimeter and submillimeter regions) because of the excellent sensitivity, and ease of predictability and identification of pure rotational spectra. A further advantage of millimeter and submillimeter-wave over other wavelength regions is that, owing to high symmetry, gases such as acetylene, allene, and benzene have no permanent dipole moments and therefore no interfering transitions. 15 refs., 3 figs.

• Research Organization: Harvard Univ., Cambridge, MA (USA)
• Sponsoring Organization: USDOE; USDOE, Washington, DC (USA)
• DOE Contract Number: FG02-88ER13912
• OSTI ID: 5939969
• Report Number(s): DOE/ER/13912-3; ON: DE91011029
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACETYLENE
COMBUSTION
ALLENE
BENZENE
POLYCYCLIC AROMATIC HYDROCARBONS
PRODUCTION
REACTION INTERMEDIATES
INFRARED SPECTRA
MICROWAVE SPECTRA
SOOT
CARBENES
PROGRESS REPORT
RADICALS
VIBRATIONAL STATES
ALKYNES
AROMATICS
CHEMICAL REACTIONS
DIENES
DOCUMENT TYPES
ENERGY LEVELS
EXCITED STATES
HYDROCARBONS
ORGANIC COMPOUNDS
OXIDATION
POLYENES
SPECTRA
THERMOCHEMICAL PROCESSES
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry