THE ROTATIONAL SPECTROSCOPY OF 2-FORMYLTHIOPHENE UP TO 750 GHZ IN ITS GROUND AND TWO VIBRATIONALLY EXCITED STATES
Esselman, Brian J.
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6875.pdf
WE08_1.pptx
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https://hdl.handle.net/2142/122336
Description
Title
THE ROTATIONAL SPECTROSCOPY OF 2-FORMYLTHIOPHENE UP TO 750 GHZ IN ITS GROUND AND TWO VIBRATIONALLY EXCITED STATES
Author(s)
Esselman, Brian J.
Contributor(s)
McMahon, Robert J.
Woods, R. Claude
Nguyen, Ha Vinh Lam
Issue Date
2023-06-21
Keyword(s)
Rotational structure/frequencies
Abstract
The rotational spectrum of 2-formylthiophene (Cs, µₐ = 3.9 D, µb = 2.4 D) has been observed from 2 to 750 GHz and over 8500 transitions have been observed, measured, and least-squares fit for the ground vibrational state. The extensive frequency coverage allowed measurement of transitions up to J = 180 and Kₐ = 72. Spectroscopic constants have been obtained for a complete sextic distorted-rotor A- and S-reduced Hamiltonians, in the Iʳ representation. The first two vibrationally excited states of 2-formylthiophene are the torsional mode (ν₂₇, A′′, 122 cm−¹) and the in-plane C-C-O bend (ν₁₉, A′, 173 cm−¹) of the formyl group. These two vibrationally excited states exhibit rotational transitions with frequencies perturbed by a- and b-axis Coriolis coupling despite an energy gap of nearly 50 cm−¹. Rotational transitions for the first two vibrationally excited states have been assigned, measured, and least-squares fit to a two-state Hamiltonian, which will provide an accurate and precise energy gap and Coriolis-coupling constants for these two modes.
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6875.pdf
WE08_1.pptx
