Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework

23 December 2019, Version 1


For the first time, a hydrogen-bonded organic framework is shown to be an effective photocatalyst for the production of hydrogen from water. The crystal structure of this molecular material is found to be key to good activity with a chemically identical but amorphous version showing orders of magnitude lower proton reduction rates.


crystal structure prediction
hydrogen production
hydrogen-bonded organic framework
crystal engineering


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