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This content will become publicly available on April 26, 2019

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

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:
Report Number(s):
BNL-203528-2018-JAAM
Journal ID: ISSN 0022-2852
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Journal of Molecular Spectroscopy
Additional Journal Information:
Journal Volume: 349; Journal ID: ISSN 0022-2852
Publisher:
Elsevier
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Free Radical; Spectra; Ethynyl; C2H; hotband
OSTI Identifier:
1433987