Vibrational Bands of the 2-Butyn-1-yl Radical

Brown, Glenna J.; Ellis, Martha J.; Martin, Thaddeus D.; McCunn, Laura R.

doi:10.1021/acs.jpca.0c02218

Vibrational Bands of the 2-Butyn-1-yl Radical

Journal Article · Wed Apr 29 00:00:00 EDT 2020 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.0c02218· OSTI ID:1767433

Brown, Glenna J. ^[1]; Ellis, Martha J. ^[2]; Martin, Thaddeus D. ^[2]; ^[2]

Marshall Univ., Huntington, WV (United States); Marshall University
Marshall Univ., Huntington, WV (United States)

This article reports the spectroscopic signature of the 2-butyn-1-yl radical. The radical is an isomer of C₄H₅ and is is likely to be significant to reactions that occur during combustion of fuels, as well as reactions in extraterrestrial environments. In this work, the radical was formed by heating a mixture of 1-bromo-2-butyne and argon to 800 K in a pulsed, microtubular reactor. The resultant radicals and other trace products were trapped in a low-temperature argon matrix. Fourier-transform infrared spectroscopy was used to record seven vibrational bands of the 2-butyn-1-yl radical. In conclusion, the experimentally observed frequencies and intensities of the seven vibrational bands were found to be consistent with computational predictions from the literature and also new calculations done in this work.

View Accepted Manuscript (DOE)

Research Organization:: Marshall University Research Corporation, Huntington, WV (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0019732

OSTI ID:: 1767433

Report Number(s):: DOE-MURC--19732

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 20 Vol. 124; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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