EVALUATION OF THE HYDROGENATION CATALYSTS PERFORMANCE BY ANALYSIS OF THE PROBE REACTION PRODUCTS DISTRIBUTION

Authors

  • Mykyta O. Ivanytsya L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028. Enamine Ltd., 78 Winston Churchill St., Kyiv 02094
  • Alina O. Gorlova Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Akademika Kuharya St, 5, Kyiv, Ukraine, 02094
  • Oleksiy V. Shvets L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028
  • Oleksiy V. Khavryuchenko Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094
  • Serhiy V. Ryabukhin Enamine Ltd., 78 Winston Churchill St., Kyiv 02094. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094. Taras Shevchenko National University of Kyiv, 60 Volodymyrska St., Kyiv 01033
  • Dmytro M. Volochnyuk Enamine Ltd., 78 Winston Churchill St., Kyiv 02094. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Akademika Kukharya St., Kyiv 02094. Taras Shevchenko National University of Kyiv, 60 Volodymyrska St., Kyiv 01033
  • Sergey V. Kolotilov L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 31 Nauky Ave., Kyiv 03028. Enamine Ltd., 78 Winston Churchill St., Kyiv 02094

Keywords:

heteroaromatic pyridines, hydrodechlorination, nitro-group reduction, pyridine ring hydrogenation, supported palladium catalysts, palladium on carbon, GC–MS product profiling, quality control, probe-reaction fingerprinting, chloronitropyridines

Abstract

We propose a two-temperature probe-reaction ''fingerprint'' for supported metal nanoparticles catalysts using 6-chloro-3-nitropyridine as substrate. Its reactivity with hydrogen branches between hydrodechlorination, nitro/ring reduction, and deep hydrogenation. GC-MS readouts are expressed as a 12-label set (unreacted, products); centered log-ratio (CLR) profiles at 25 and 50°C are differenced to give a temperature-response vector (ΔCLR). Applied to eight commercial 5 wt % Pd/C catalysts (BASF and Evonik toolkits; H2 30 bar, THF), ΔCLR separates samples by which reaction branch becomes more discriminating upon raising temperature from 25 to 50°C – dechlorination-leaning vs deep hydrogenation-leaning – beyond simple increases in conversion. For quick screening we report conversion, conversion + Cl-free products total, and conversion + selected deep hydrogenation products. Texture/morphology descriptors (SBET, Vmic, Vmeso; Median, CV, TailRatio, area fractions) provide orthogonal quality control, but do not by themselves reproduce ΔCLR groupings. Retention-time labels and inlet-mitigation measures support portability. The workflow enables lot identity checks and early catalyst selection.

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Published

2026-02-24

Issue

Vol. 61 No. 9/10 (2025): Modern catalytic approaches for the assembly and functionalization of heterocyclic compounds

Section

Original Papers