Pyrolysis Reactions Of Oxolan-3-one Studied Via Matrix-isolation Ftir

McCunn, Laura R.

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https://hdl.handle.net/2142/116664 Copy

Description

Title

Pyrolysis Reactions Of Oxolan-3-one Studied Via Matrix-isolation Ftir

Author(s)

McCunn, Laura R.

Contributor(s)

• Parish, Carol
• Song, Xinli
• Sparks, Elizabeth Renee
• El-Shazly, Khaled Aley
• Narkin, Kathryn
• Legg, Heather

Issue Date

2022-06-24

Keyword(s)

Spectroscopy as an analytical tool

Abstract

Oxolan-3-one is a cyclic, oxygenated hydrocarbon that occurs frequently in the pyrolysis of many forms of biomass and is thus an important intermediate in the production of biofuels. In order to identify thermal decomposition products of oxolan-3-one, an approximately 0.4\% mixture in argon was subject to pyrolysis in a resistively heated SiC microtubular reactor at 800-1400 K. Matrix-isolation FTIR spectroscopy was used to identify pyrolysis products. The products observed include ethylene, carbon monoxide, formaldehyde, ketene, acetylene, and propyne. A comprehensive computational study of the unimolecular decomposition mechanism shows reactions consistent with these products and suggests the appearance of hydroxyketene in the mechanism. Efforts were undertaken to pyrolytically generate and characterize hydroxyketene via matrix-isolation FTIR to confirm the assignment. The experimental and computational results combined provide clues to the overall mechanism of thermal decomposition of oxolan-3-one and are important in relating the molecule’s structure to the mechanism.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116664

DOI

https://doi.org/10.15278/isms.2022.FF06

Copyright and License Information

Copyright 2022 held by the authors

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