Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation

The work reports a method for monitoring anthracene radical-mediated oxidation reactions using electron paramagnetic resonance (EPR) spectroscopy. The formation of anthracene dimer product was well-defined using 1H-NMR and 1H–1H correlation spectroscopy (COSY). Unrestricted 3-21G/B3LYP DFT was used...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Mohamed A. Morsy, Abdel-Nasser M. Kawde, Muhammad Kamran, Thomas F. Garrison, Wissam Iali, Salman S. Alharthi
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	EPR Spectroscopy NMR Spectroscopy Anthracene cation radical Radical kinetics Science (General) Q1-390 Social sciences (General) H1-99
Acceso en línea:	https://doaj.org/article/aaadf9612b4141c09a5804e9a259cac0
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:aaadf9612b4141c09a5804e9a259cac0
record_format	dspace
spelling	oai:doaj.org-article:aaadf9612b4141c09a5804e9a259cac02021-12-02T05:03:22ZElectron and proton magnetic resonance spectroscopic investigation of anthracene oxidation2405-844010.1016/j.heliyon.2021.e08474https://doaj.org/article/aaadf9612b4141c09a5804e9a259cac02021-11-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2405844021025779https://doaj.org/toc/2405-8440The work reports a method for monitoring anthracene radical-mediated oxidation reactions using electron paramagnetic resonance (EPR) spectroscopy. The formation of anthracene dimer product was well-defined using 1H-NMR and 1H–1H correlation spectroscopy (COSY). Unrestricted 3-21G/B3LYP DFT was used to estimate radical hyperfine spacing (hfs), then to identify the characteristic EPR-spin transitions of anthracene radical intermediate. A detailed investigation of an anthracene oxidation reaction and its possible reaction mechanism in concentrated sulphuric acid is conducted as a model system for polyaromatic hydrocarbons. Peak-to-peak (p2p) intensities of selected EPR-spectral lines were used to evaluate anthracene's oxidation kinetic model. The findings showed that radical intermediate formation is a unimolecular autocatalytic process, dimerization is a pseudo-zero-order reaction, and the latter is the rate-determining step with a half-life of 48 ± 2 min at 25.0 °C.Mohamed A. MorsyAbdel-Nasser M. KawdeMuhammad KamranThomas F. GarrisonWissam IaliSalman S. AlharthiElsevierarticleEPR SpectroscopyNMR SpectroscopyAnthracene cation radicalRadical kineticsScience (General)Q1-390Social sciences (General)H1-99ENHeliyon, Vol 7, Iss 11, Pp e08474- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	EPR Spectroscopy NMR Spectroscopy Anthracene cation radical Radical kinetics Science (General) Q1-390 Social sciences (General) H1-99
spellingShingle	EPR Spectroscopy NMR Spectroscopy Anthracene cation radical Radical kinetics Science (General) Q1-390 Social sciences (General) H1-99 Mohamed A. Morsy Abdel-Nasser M. Kawde Muhammad Kamran Thomas F. Garrison Wissam Iali Salman S. Alharthi Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
description	The work reports a method for monitoring anthracene radical-mediated oxidation reactions using electron paramagnetic resonance (EPR) spectroscopy. The formation of anthracene dimer product was well-defined using 1H-NMR and 1H–1H correlation spectroscopy (COSY). Unrestricted 3-21G/B3LYP DFT was used to estimate radical hyperfine spacing (hfs), then to identify the characteristic EPR-spin transitions of anthracene radical intermediate. A detailed investigation of an anthracene oxidation reaction and its possible reaction mechanism in concentrated sulphuric acid is conducted as a model system for polyaromatic hydrocarbons. Peak-to-peak (p2p) intensities of selected EPR-spectral lines were used to evaluate anthracene's oxidation kinetic model. The findings showed that radical intermediate formation is a unimolecular autocatalytic process, dimerization is a pseudo-zero-order reaction, and the latter is the rate-determining step with a half-life of 48 ± 2 min at 25.0 °C.
format	article
author	Mohamed A. Morsy Abdel-Nasser M. Kawde Muhammad Kamran Thomas F. Garrison Wissam Iali Salman S. Alharthi
author_facet	Mohamed A. Morsy Abdel-Nasser M. Kawde Muhammad Kamran Thomas F. Garrison Wissam Iali Salman S. Alharthi
author_sort	Mohamed A. Morsy
title	Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
title_short	Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
title_full	Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
title_fullStr	Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
title_full_unstemmed	Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
title_sort	electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/aaadf9612b4141c09a5804e9a259cac0
work_keys_str_mv	AT mohamedamorsy electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation AT abdelnassermkawde electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation AT muhammadkamran electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation AT thomasfgarrison electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation AT wissamiali electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation AT salmansalharthi electronandprotonmagneticresonancespectroscopicinvestigationofanthraceneoxidation
_version_	1718400729733922816

Electron and proton magnetic resonance spectroscopic investigation of anthracene oxidation

Ejemplares similares