Solid-State Catalytic Hydrogen/Deuterium Exchange in Mexidolстатья
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Дата последнего поиска статьи во внешних источниках: 4 июня 2021 г.
Аннотация:Abstract—The reaction between spillover hydrogen (SH) and mexidol upon high-temperature catalytic iso-tope exchange (HTCIE) is studied experimentally and via DFT B3LYP and MP2 calculations. The distribu-tion of isotopes and the energy of activation of the reaction are determined via NMR spectroscopy and massspectrometry for samples of the deuterium-labeled mexidol obtained via HTCIE at 50–120C. The DFT cal-culated energy of activation of hydrogen transfer onto the charged alumina cluster HH+(–Al–O–)3(OH)6 isfound to agree with the experimental data. A mechanism is proposed for HTCIE between the adsorbed com-pound and charged Brønsted acidic sites formed on the surface of the support upon exposure to hydrogenspillover.