ANALYSIS OF COMBINED MILLIMETER-WAVE AND HIGH-RESOLUTION INFRARED SPECTRA OF 2- AND 3-FURONITRILE

Styers, William

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https://hdl.handle.net/2142/122325 Copy

Description

Title

ANALYSIS OF COMBINED MILLIMETER-WAVE AND HIGH-RESOLUTION INFRARED SPECTRA OF 2- AND 3-FURONITRILE

Author(s)

Styers, William

Contributor(s)

• McMahon, Robert J.
• Woods, R. Claude
• Zhao, Jianbao
• Billinghurst, Brant E.
• Kougias, Samuel M.
• Owen, Andrew N.
• Zdanovskaia, Maria
• Esselman, Brian J.

Issue Date

2023-06-21

Keyword(s)

Rotational structure/frequencies

Abstract

2-Furonitrile and 3-furonitrile are highly polar CN-substituted derivatives of furan. These molecules are attractive targets for interstellar search due to their strong dipole moments (µₐ = 4.3 D, µb = 0.7 D and µₐ = 4.0 D, µb = 0.4 D, respectively) and their ability to serve as tracer molecules for furan. In our recent work, we analyzed and assigned the millimeter-wave and high-resolution infrared (IR) spectra of 2- and 3-furonitrile for the first time. From 140-750 GHz and 140-500 GHz, respectively, the vibrational ground-state transitions of each molecule have been least-squares fit to partial octic, distorted-rotor Hamiltonians with each data set containing several thousand independent transitions. The two lowest-energy fundamental modes of both furonitriles are the Coriolis-coupled bending modes of the nitrile (ν₁₇ and ν₂₄). High-resolution infrared spectra were obtained from the Canadian Light Source and provided the precise band origins of these modes for both furonitriles, as well as of ν₂₃ for 2-furonitrile. We recently reported our work on 2-furonitrile and will discuss our progress in the analysis of the ground state and first two fundamental modes of 3-furonitrile.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122325

DOI

https://doi.org/10.15278/isms.2023.6860

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