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

Neeman, Elias M.

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

Description

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

Language

eng

Handle URL

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

DOI

https://doi.org/10.15278/isms.2023.7138

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