University of Illinois Urbana-Champaign

CONFORMATIONAL LANDSCAPE AND INTERNAL DYNAMIC OF LEVULINIC ACID FROM BROADBAND ROTATIONAL SPECTROSCOPY

Neeman, Elias M.

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7138.pdf
MK10_1.pptx

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https://hdl.handle.net/2142/122624

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Title
CONFORMATIONAL LANDSCAPE AND INTERNAL DYNAMIC OF LEVULINIC ACID FROM BROADBAND ROTATIONAL SPECTROSCOPY
Author(s)
Neeman, Elias M.
Contributor(s)
  • Huet, Therese R.
  • Osseiran, Noureddin
Issue Date
2023-06-19
Keyword(s)
  • Large amplitude motions
  • internal rotation
Abstract
Lignocellulose is the most abundantly available raw material on the Earth for the production of biofuels.ᵃ The main challenge is to produce useful chemicals from it. A variety of chemicals and biomolecules are produced via the hydrothermal conversion of waste biomass. Among the produced products is levulinic acid (LA). This biomolecule is considered to be of the top 10 chemical compoundsᵇ as it has an important potential to be considered as a platform chemical.ᶜ It is used in the production of diverse chemical compounds in different area such as pharmaceuticals, herbicides, polymers, fuels etc.. Gas phase rotational studies permit a better understanding of intermolecular interactions that control the conformation landscape of molecules and their internal dynamics. We present herein, a broadband rotational study in jet-cooled conditions, of the relevant levulinic acid in the 6-18 GHz range. One conformer has been identified in the gas phase. The spectrum showed clearly that the lines were split. This splitting is due to the internal rotation of the methyl group. The A and E states lines were assigned and fitted, and the experimental barrier of the methyl torsion was determined.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/122624
DOI
https://doi.org/10.15278/isms.2023.7138

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Abstracts & Presentations - 2023 International Symposium on Molecular Spectroscopy PRIMARY