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Title: Analysis of the $$\tilde{A}$$ - $$\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μm and Re-evaluation of ~X State Energies

Abstract

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground $$\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.

Authors:
 [1];  [2];  [3]; ORCiD logo [2]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division; Arizona State Univ., Tempe, AZ (United States). School of Molecular Sciences
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division; Stony Brook Univ., NY (United States). Dept. of Chemistry
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1433987
Report Number(s):
BNL-203528-2018-JAAM
Journal ID: ISSN 0022-2852
Grant/Contract Number:  
SC0012704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Molecular Spectroscopy
Additional Journal Information:
Journal Volume: 349; Journal ID: ISSN 0022-2852
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Free Radical; Spectra; Ethynyl; C2H; hotband

Citation Formats

Le, Anh T., Gross, Eisen C., Hall, Gregory E., and Sears, Trevor J. Analysis of the $\tilde{A}$ - $\tilde{X}$ bands of the Ethynyl Radical near 1.48 μm and Re-evaluation of ~X State Energies. United States: N. p., 2018. Web. doi:10.1016/j.jms.2018.04.006.
Le, Anh T., Gross, Eisen C., Hall, Gregory E., & Sears, Trevor J. Analysis of the $\tilde{A}$ - $\tilde{X}$ bands of the Ethynyl Radical near 1.48 μm and Re-evaluation of ~X State Energies. United States. doi:10.1016/j.jms.2018.04.006.
Le, Anh T., Gross, Eisen C., Hall, Gregory E., and Sears, Trevor J. Thu . "Analysis of the $\tilde{A}$ - $\tilde{X}$ bands of the Ethynyl Radical near 1.48 μm and Re-evaluation of ~X State Energies". United States. doi:10.1016/j.jms.2018.04.006.
@article{osti_1433987,
title = {Analysis of the $\tilde{A}$ - $\tilde{X}$ bands of the Ethynyl Radical near 1.48 μm and Re-evaluation of ~X State Energies},
author = {Le, Anh T. and Gross, Eisen C. and Hall, Gregory E. and Sears, Trevor J.},
abstractNote = {Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground $\tilde{X}$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v2 = 1 and the 2Σ+ component of v2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.},
doi = {10.1016/j.jms.2018.04.006},
journal = {Journal of Molecular Spectroscopy},
number = ,
volume = 349,
place = {United States},
year = {Thu Apr 26 00:00:00 EDT 2018},
month = {Thu Apr 26 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 26, 2019
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