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We calculated reaction rate constants including atom tunneling for thehydrogen abstraction reaction CH3OH+H -> CH2OH+H2 with the instanton method.The potential energy was fitted by a neural network, that was trained toUCCSD(T)-F12/VTZ-F12 data. Bimolecular gas-phase rate constants were calculatedusing microcanonic instanton theory. All H/D isotope patterns on the CH3 groupand the incoming H atom are studied. Unimolecular reaction rate constants,representing the reaction on a surface, down to 30 K, are presented for allisotope patterns. At 30 K they range from 4100 for the replacement of theabstracted H by D to ~ 8 for the replacement of the abstracting H to about 2--6for secondary KIEs. The $^\text{12}$C/$^\text{13}$C kinetic isotope effect is1.08 at 30 K, while the $^\text{16}$O/$^\text{18}$O kinetic isotope effect isvanishingly small. A simple kinetic surface model using these data predictshigh abundances of the deuterated forms of methanol.

Low-Temperature Kinetic Isotope Effects in CH3OH+H -> CH2OH+H2 Shed Light on the Deuteration of Methanol in Space