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Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm

The reaction process of gaseous 1,3-butadiene following ultraviolet irradiation at the temperature range from 298 to 323 K under nitrogen atmosphere was monitored by UV–vis spectrophotometry. A gaseous mini-reactor was used as a reaction vessel and could be directly monitored in a UV–vis spectrophot...

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Autores principales: Liang, Min, Yu, Chang, Dai, Suyi, Cheng, Haijun, Li, Weiguang, Lai, Fang, Ma, Li, Liu, Xiongmin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8857861/
https://www.ncbi.nlm.nih.gov/pubmed/35180888
http://dx.doi.org/10.1186/s13065-022-00800-6
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author Liang, Min
Yu, Chang
Dai, Suyi
Cheng, Haijun
Li, Weiguang
Lai, Fang
Ma, Li
Liu, Xiongmin
author_facet Liang, Min
Yu, Chang
Dai, Suyi
Cheng, Haijun
Li, Weiguang
Lai, Fang
Ma, Li
Liu, Xiongmin
author_sort Liang, Min
collection PubMed
description The reaction process of gaseous 1,3-butadiene following ultraviolet irradiation at the temperature range from 298 to 323 K under nitrogen atmosphere was monitored by UV–vis spectrophotometry. A gaseous mini-reactor was used as a reaction vessel and could be directly monitored in a UV–vis spectrophotometer. We investigated the reactivity and kinetics of 1,3-butadiene under non-UV and UV irradiation to evaluate its photochemical stability. A second-order kinetic model with 50.48 kJ·mol(–1) activation energy fitted the reaction data for non-UV irradiation, whereas a first-order kinetic model was appropriate in the case of UV irradiation with activation energies of 19.92–43.65 kJ mol(–1). This indicates that ultraviolet light could accelerate the photolysis reaction rate of 1,3-butadiene. In addition, the reaction products were determined using gas chromatography-mass spectrometry (GC–MS), and the reaction pathways were identified. The photolysis of 1,3-butadiene gave rise to various volatile products by cleavage and rearrangement of single C–C bonds. The differences between dimerization and dissociation of 1,3-butadiene under ultraviolet irradiation were elucidated by combining experimental and theoretical methods. The present findings provide fundamental insight into the photochemistry of 1,3-butadiene compounds. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13065-022-00800-6.
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spelling pubmed-88578612022-02-23 Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm Liang, Min Yu, Chang Dai, Suyi Cheng, Haijun Li, Weiguang Lai, Fang Ma, Li Liu, Xiongmin BMC Chem Research Article The reaction process of gaseous 1,3-butadiene following ultraviolet irradiation at the temperature range from 298 to 323 K under nitrogen atmosphere was monitored by UV–vis spectrophotometry. A gaseous mini-reactor was used as a reaction vessel and could be directly monitored in a UV–vis spectrophotometer. We investigated the reactivity and kinetics of 1,3-butadiene under non-UV and UV irradiation to evaluate its photochemical stability. A second-order kinetic model with 50.48 kJ·mol(–1) activation energy fitted the reaction data for non-UV irradiation, whereas a first-order kinetic model was appropriate in the case of UV irradiation with activation energies of 19.92–43.65 kJ mol(–1). This indicates that ultraviolet light could accelerate the photolysis reaction rate of 1,3-butadiene. In addition, the reaction products were determined using gas chromatography-mass spectrometry (GC–MS), and the reaction pathways were identified. The photolysis of 1,3-butadiene gave rise to various volatile products by cleavage and rearrangement of single C–C bonds. The differences between dimerization and dissociation of 1,3-butadiene under ultraviolet irradiation were elucidated by combining experimental and theoretical methods. The present findings provide fundamental insight into the photochemistry of 1,3-butadiene compounds. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13065-022-00800-6. Springer International Publishing 2022-02-18 /pmc/articles/PMC8857861/ /pubmed/35180888 http://dx.doi.org/10.1186/s13065-022-00800-6 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Research Article
Liang, Min
Yu, Chang
Dai, Suyi
Cheng, Haijun
Li, Weiguang
Lai, Fang
Ma, Li
Liu, Xiongmin
Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title_full Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title_fullStr Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title_full_unstemmed Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title_short Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
title_sort reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8857861/
https://www.ncbi.nlm.nih.gov/pubmed/35180888
http://dx.doi.org/10.1186/s13065-022-00800-6
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