Partial oxidation of ortho- and para-benzyltoluene using VOx/TiO2 based catalysts

Siegert F, Steffen J, Maurer L, Auer F, Distaso M, Görling A, Wasserscheid P (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Catalysis: Science and Technology Royal Society of Chemistry

DOI: 10.1039/d6cy00516k

Abstract

The partial oxidation (PO) of benzyltoluene (H0-BT) regioisomers offers a viable way to realize an autothermal hydrogen release reaction from the corresponding perhydro compounds (H12-BT) when paired with the endothermal dehydrogenation of perhydro benzyltoluene (H12-BT). In this way, hydrogen release from the liquid organic hydrogen carrier compound H12-BT can be realized without external heat supply and without burning a part of the released hydrogen. Herein, we focus on the PO of the reference system diphenylmethane (H0-DPM) in comparison to the same reaction with the regioisomers ortho- and para-benzyltoluene (ortho-H0-BT and para-H0-BT), which are the major components of the technically relevant BT-based LOHC mixture. Using a VOx/TiO2 catalyst doped with Sb2O3, we show that the presence and the position of the methyl group on the aromatic ring affects the reactivity in the desired PO leading to lower yields in the desired methyl benzophenone products from H0-BT oxidation in comparison to the formation of benzophenone from H0-DPM. We rationalize our results through DFT calculations, showing a qualitative alignment with the overlap of the electronic densities of states between the central –CH2 group of the BT-feedstock with the VO group of the catalyst surface.

Authors with CRIS profile

Julien Steffen Lehrstuhl für Theoretische Chemie Andreas Görling Lehrstuhl für Theoretische Chemie

Involved external institutions

Forschungszentrum Jülich / Research Centre Jülich (FZJ) DE Germany (DE)

How to cite

APA:

Siegert, F., Steffen, J., Maurer, L., Auer, F., Distaso, M., Görling, A., & Wasserscheid, P. (2026). Partial oxidation of ortho- and para-benzyltoluene using VOx/TiO2 based catalysts. Catalysis: Science and Technology. https://doi.org/10.1039/d6cy00516k

MLA:

Siegert, Fabian, et al. "Partial oxidation of ortho- and para-benzyltoluene using VOx/TiO2 based catalysts." Catalysis: Science and Technology (2026).

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