NMR signal enhancement for hyperpolarized fluids continuously generated in hydrogenation reactions with parahydrogen

J Phys Chem A. 2015 Feb 12;119(6):996-1006. doi: 10.1021/jp510572d. Epub 2015 Feb 2.

Abstract

In the present study we analyze the factors which can lower hyperpolarization of fluids produced in a continuous flow regime by the parahydrogen-induced polarization technique. We use the findings of this analysis to examine the flow rate dependence of propane hyperpolarization produced in the heterogeneous propylene hydrogenation by parahydrogen over Rh/TiO2 catalyst. We have estimated the maximum attainable propane (1)H hyperpolarization yield and the corrected percentage of pairwise hydrogen addition in heterogeneous hydrogenation, which was found to be ∼7%. The approach developed for polarization analysis is useful for the optimization of experimental setup and reaction conditions to obtain maximum hyperpolarization for parahydrogen-based catalyst-free continuously generated fluids applicable in biomedical magnetic resonance imaging.