Astronomy and Astrophysics – Astronomy
Scientific paper
Oct 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010dps....42.3627z&link_type=abstract
American Astronomical Society, DPS meeting #42, #36.27
Astronomy and Astrophysics
Astronomy
Scientific paper
The recombination reaction of propargyl radicals (HCCCH2) is likely to play an important role for the formation of benzene in Titan's lower atmosphere. Generating and understanding the propargyl radical is the first key step in the study of its recombination reaction. In this study, infrared (IR) absorption spectra of matrix-isolated HCCCH2 have been measured and propargyl radicals have been generated in a supersonic pyrolysis nozzle, using a method similar to that described in a previous study. Besides the nine vibrational modes observed in the previous study, this investigation detected the CH2CCH 2B1 out-of-plane bending mode (ν8) at 378.0 (±1.9) cm-1 in a cryogenic argon matrix. This is the first experimental observation of ν8 for the propargyl radical. In addition, several overtone and combination modes have also been assigned. Ab initio coupled-cluster anharmonic force field calculations (CCSD(T)/ANO) were used to help guide some of the assignments. Furthermore, ν12 has been assigned to 333 (±10) cm-1 based on the detection of its overtone (2ν12, 667.7 ± 1.0 cm-1) and a possible combination band (ν10 + ν12, 1339.0 ± 0.8 cm-1). This is the first experimental estimation of ν12 for the propargyl radical. These results improve the understanding of propargyl radical spectroscopy and also lay a foundation for our subsequent study of its recombination reaction.
The products of propargyl recombination in the supersonic pyrolysis nozzle have been observed. The thermal decomposition of 1,5-hexadiyne (HCCCH2CH2CCH) in the supersonic pyrolysis nozzle at different temperatures has also been investigated. The results and their possible implications will be discussed.
Support from NASA Planetary Atmosphere Program is acknowledged.
Chaimowitz A.
Ellison G.
Sander Stanley P.
Stanton John F.
Zhang Xu
No associations
LandOfFree
Mechanistic Studies of Aromatics Formation on Titan: Matrix IR Spectra of Propargyl and 1, 5-hexadiyne Pyrolysis does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Mechanistic Studies of Aromatics Formation on Titan: Matrix IR Spectra of Propargyl and 1, 5-hexadiyne Pyrolysis, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Mechanistic Studies of Aromatics Formation on Titan: Matrix IR Spectra of Propargyl and 1, 5-hexadiyne Pyrolysis will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-1228304