XANES-based quantification of carbon ...
Document type :
Article dans une revue scientifique: Article original
Permalink :
Title :
XANES-based quantification of carbon functional group concentrations
Author(s) :
Le Guillou, Corentin [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Bernard, Sylvain [Auteur]
Muséum national d'Histoire naturelle [MNHN]
de la Peña, Francisco [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Le Brech, Yann [Auteur]
Laboratoire Réactions et Génie des Procédés [LRGP]

Unité Matériaux et Transformations (UMET) - UMR 8207
Bernard, Sylvain [Auteur]
Muséum national d'Histoire naturelle [MNHN]
de la Peña, Francisco [Auteur]

Unité Matériaux et Transformations (UMET) - UMR 8207
Le Brech, Yann [Auteur]
Laboratoire Réactions et Génie des Procédés [LRGP]
Journal title :
Analytical Chemistry
Publication date :
2018
HAL domain(s) :
Planète et Univers [physics]/Astrophysique [astro-ph]
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Astrophysique [astro-ph]
Planète et Univers [physics]/Sciences de la Terre
Chimie/Matériaux
Physique [physics]/Physique [physics]/Géophysique [physics.geo-ph]
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Astrophysique [astro-ph]
Planète et Univers [physics]/Sciences de la Terre
Chimie/Matériaux
Physique [physics]/Physique [physics]/Géophysique [physics.geo-ph]
English abstract : [en]
X-ray absorption spectroscopy in the soft X-ray range is used in many research fields to identify the nature of functional groups in organic compounds and carbon materials. However, the concentrations of these functional ...
Show more >X-ray absorption spectroscopy in the soft X-ray range is used in many research fields to identify the nature of functional groups in organic compounds and carbon materials. However, the concentrations of these functional groups have so far remained difficult to quantify. Using X-ray absorption near edge structure (XANES) spectra of reference materials (polymers and compounds of known molecular composition), we established a correlation between measured optical densities and functional groups concentration. This methodology relies on an alternative method for normalization to the total amount of carbon and for deconvolution of the spectra. It allows precisely quantifying the N/C atomic ratio (σ1 = 0.02 atom %) as well as the concentration of [aromatic + olefinic] groups (σ1 = 3.7 atom %), [ketone + phenol + nitrile] groups (σ1 = 2.2 atom %), [aliphatic] groups (σ1 = 11.2 atom %) and [carboxylic] groups (σ1 = 7.4 atom %). We validated this quantification by comparing with nuclear magnetic resonance data obtained on pyrolized lignin samples. We also provide an easy-to-use python program automating XANES-based quantification of carbon functional group concentrations.Show less >
Show more >X-ray absorption spectroscopy in the soft X-ray range is used in many research fields to identify the nature of functional groups in organic compounds and carbon materials. However, the concentrations of these functional groups have so far remained difficult to quantify. Using X-ray absorption near edge structure (XANES) spectra of reference materials (polymers and compounds of known molecular composition), we established a correlation between measured optical densities and functional groups concentration. This methodology relies on an alternative method for normalization to the total amount of carbon and for deconvolution of the spectra. It allows precisely quantifying the N/C atomic ratio (σ1 = 0.02 atom %) as well as the concentration of [aromatic + olefinic] groups (σ1 = 3.7 atom %), [ketone + phenol + nitrile] groups (σ1 = 2.2 atom %), [aliphatic] groups (σ1 = 11.2 atom %) and [carboxylic] groups (σ1 = 7.4 atom %). We validated this quantification by comparing with nuclear magnetic resonance data obtained on pyrolized lignin samples. We also provide an easy-to-use python program automating XANES-based quantification of carbon functional group concentrations.Show less >
Language :
Anglais
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
Université de Lille
ENSCL
CNRS
INRA
ENSCL
CNRS
INRA
Collections :
Research team(s) :
Matériaux Terrestres et Planétaires
Submission date :
2019-05-17T09:18:40Z
2019-10-22T14:44:19Z
2024-02-06T09:35:04Z
2019-10-22T14:44:19Z
2024-02-06T09:35:04Z