Assignment of Rovibrational Transitions of Propyne in the Region of 2934–2952 cm^⁻1 Measured by Two-color IR–vacuum Ultraviolet laser photoion-photoelectron methods

Journal Article · Fri Jul 27 00:00:00 EDT 2007 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.2748403· OSTI ID:921836

Xing, Xi ^[1]; Reed, Beth ^[1]; Lau, Kai Chung ^[1]; Baek, Sun-Jong ^[1]; Bahng, Mi-Kyung ^[1]; Ng, Cheuk-Yiu ^[1]

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1. Univ. of California, Davis, CA (United States)

The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The infrared (IR) spectrum of propyne in the region of 2934–2952 cm^-1 has been recorded by the IR–vacuum ultraviolet (VUV)–photoion method. The spectrum is shown to consist of two near-resonant, but noncoupled vibrational bands: the v₂ symmetric methyl C–H stretching vibrational band and a combination vibrational band v_cs. The previously unobserved Q line of the vcs band is observed. The rotational transition lines of the v₂=1 band produces IR-VUV–pulsed field ionization–photoelectron (IR-VUV-PFI-PE) signal at the C₃H₄ + (v₂⁺=1) photoionization threshold. The rotational transition lines associated with the v_cs band do not produce IR-VUV-PFI-PE signal. Rotational transition lines of both vibrational bands are assigned and simulated; and ab initio calculations further confirm the assignment.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 921836
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 4 Vol. 127; ISSN JCPSA6; ISSN 0021-9606
• Publisher: American Institute of Physics (AIP)
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Environmental Molecular Sciences Laboratory
INFRARED SPECTRA
PHOTOIONIZATION
PROPYNE
ROTATIONAL STATES
VIBRATIONAL STATES