2026-10-14T15:40:12Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33915583 2026-09-17T22:15:30Z portal_1197 item_type_3 month_year_09_2026

Data for Redox-Active Biochar Catalysts for Base-Free HMF Oxidation to FDCA: Mechanistic Insights from Inelastic Neutron Scattering Richard I. Walton (1328463) Migrated from ePrints A series of redox active biochar catalysts prepared from the pyrolysis of biomass waste followed by sulfonation and iron loading was applied for the base-free oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA). The catalytic oxidation was performed under mild conditions using tert-butyl hydroperoxide as the oxidant and 2,2,6,6 tetramethylpiperidine-1-oxyl (TEMPO) as a co-catalyst. Sulfonation and iron loading modified the surface characteristics and porosity of the biochar while largely maintaining its graphitic structure. Notably, raw biochar exhibited significant catalytic activity due to naturally occurring iron species inherited from the biomass precursor, without the needed for additional iron loading or sulfonation, and showed good stability and reusability. Increasing iron content enhanced FDCA formation, correlating with the presence of mixed valence Fe²⁺/Fe³⁺ species. Inelastic neutron scattering provided evidence of interactions between HMF and biochar, where the addition of TEMPO alone does not bring about oxidation but gives intermediate species which suggest deprotonation of the HMF as the first chemical interaction. Product analysis and inelastic neutron scattering studies revealed that FDCA formation predominantly proceeds through the 2,5-diformylfuran (DFF) and 5-formyl-2-furancarboxylic acid (FFCA) pathway. These findings demonstrate the potential of waste derived biochar as sustainable catalysts for biomass valorisation and renewable chemical production.<br><br>Raw data for paper "Redox-Active Biochar Catalysts for Base-Free HMF Oxidation to FDCA: Mechanistic Insights from Inelastic Neutron Scattering" Data are in 2-column ascii format and labelled according to the figures in the paper, where they are plotted as graphs. 2026-07-30T00:00:00Z Dataset Dataset 10.82444/warw.33915583.v1 https://figshare.com/articles/dataset/Data_for_Redox-Active_Biochar_Catalysts_for_Base-Free_HMF_Oxidation_to_FDCA_Mechanistic_Insights_from_Inelastic_Neutron_Scattering/33915583 CC BY 4.0