Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework

• Published in: Journal of materials chemistry. A, Materials for energy and sustainability Vol. 8; no. 15; pp. 7158 - 717
• Main Authors: Aitchison, Catherine M, Kane, Christopher M, McMahon, David P, Spackman, Peter R, Pulido, Angeles, Wang, Xiaoyan, Wilbraham, Liam, Chen, Linjiang, Clowes, Rob, Zwijnenburg, Martijn A, Sprick, Reiner Sebastian, Little, Marc A, Day, Graeme M, Cooper, Andrew I
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 2020
• Subjects: Catalytic activity; Chemical bonds; Computer applications; Crystal structure; Crystallography; Crystals; electronics; Hydrogen; Hydrogen bonding; Hydrogen production; Organic crystals; Photocatalysis; photocatalysts; prediction; Pyrene; Solid state; Structure-function relationships

We show that a hydrogen-bonded framework, TBAP -α, with extended π-stacked pyrene columns has a sacrificial photocatalytic hydrogen production rate of up to 3108 μmol g −1 h −1 . This is the highest activity reported for a molecular organic crystal. By comparison, a chemically-identical but amorphou...