biostudies-literatureJi XAgence Nationale de la RechercheCentre National de la Recherche Scientifique3751https://www.ebi.ac.uk/biostudies/studies/S-EPMC10180323biostudies-literatureUnknown28(9)The so-called dibenzyltoluene (H0-DBT) heat transfer oil contains numerous isomers of dibenzyltoluene as well as (benzyl)benzyltoluene (methyl group on the central vs. the side aromatic ring). As it is used as a liquid organic hydrogen carrier (LOHC), a detailed analysis of its composition is crucial in assessing the kinetic rate of hydrogenation for each constituent and studying the mechanism of H0-DBT hydrogenation. To identify all of the compounds in the oil, an in-depth analysis of the GC-MS spectra was performed. To confirm peak attribution, we synthesized some DBTs and characterized the pure compounds using NMR and Raman spectroscopies. Moreover, a fast-GC analysis was developed to rapidly determine the degree of hydrogenation of the mixture.Molecules (Basel, Switzerland)Analysis of Dibenzyltoluene Mixtures: From Fast Analysis to In-Depth Characterization of the Compounds.PMC1018032380|PRIMEANR-21-CE50-0045Louarn EJi XFache FPitault IMeille VVanoye LBonhomme AfalseAnalysis of Dibenzyltoluene Mixtures: From Fast Analysis to In-Depth Characterization of the Compounds.The so-called dibenzyltoluene (H0-DBT) heat transfer oil contains numerous isomers of dibenzyltoluene as well as (benzyl)benzyltoluene (methyl group on the central vs. the side aromatic ring). As it is used as a liquid organic hydrogen carrier (LOHC), a detailed analysis of its composition is crucial in assessing the kinetic rate of hydrogenation for each constituent and studying the mechanism of H0-DBT hydrogenation. To identify all of the compounds in the oil, an in-depth analysis of the GC-MS spectra was performed. To confirm peak attribution, we synthesized some DBTs and characterized the pure compounds using NMR and Raman spectroscopies. Moreover, a fast-GC analysis was developed to rapidly determine the degree of hydrogenation of the mixture.2023-01-01T00:00:00Z2023 Apr2025-05-31T23:35:19.257Z2025-05-31T23:35:19.257ZS-EPMC101803233717516110.3390/molecules28093751