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

Le, Anh T.; Gross, Eisen C.; Hall, Gregory E.; Sears, Trevor J.

doi:10.1016/j.jms.2018.04.006

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

Journal Article · Thu Apr 26 00:00:00 EDT 2018 · Journal of Molecular Spectroscopy

DOI:https://doi.org/10.1016/j.jms.2018.04.006· OSTI ID:1433987

Le, Anh T. ^[1]; Gross, Eisen C. ^[2]; Hall, Gregory E. ^[3];

^[2]

Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division; Arizona State Univ., Tempe, AZ (United States). School of Molecular Sciences
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division; Stony Brook Univ., NY (United States). Dept. of Chemistry
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Division

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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)

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

Grant/Contract Number:: SC0012704; SC0018950

OSTI ID:: 1433987

Alternate ID(s):: OSTI ID: 1580616; OSTI ID: 1727385

Report Number(s):: BNL-203528-2018-JAAM; TRN: US1802334

Journal Information:: Journal of Molecular Spectroscopy, Vol. 349; ISSN 0022-2852

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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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

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