Tailoring porphyrinic MOF-545 performances for CO 2 photocatalytic reduction through linker chlorination

Dalton Transactions 2026 Open access

Read full text
Authors: Amanda Lyn Robinson, Sadiya Sadiya, Sandeep Kumar, Francesc Penas-Hidalgo, Khadija Talbi, Zakaria Halime, Mathieu Frégnaux, Damien Aureau, María Gómez-Mingot, Pierre Mialane, Albert Solé‐Daura, Caroline Mellot‐Draznieks
+1 more Anne Dolbecq
DOI: 10.1039/d5dt02590g
Cited by: 0
References: 34

Abstract

after 2 h. Density Functional Theory (DFT) calculations were also performed to gain insight into the electronic properties of the chlorinated porphyrinic materials. These calculations showed the stabilization of both the HOMO and LUMO energy levels upon chlorination of the porphyrin linkers, with a more pronounced stabilisation of the LUMO, leading to a smaller band gap, in line with optical measurements. Additionally, the stabilisation of the HOMO level is expected to increase the oxidizing power of the photogenerated holes, thus facilitating TEOA oxidation and enhancing the overall photocatalytic activity, and this rationalizes the experimental observations.

Fields of Study & Subjects

Advanced Photocatalysis Techniques Metal-Organic Frameworks: Synthesis and Applications Porphyrin and Phthalocyanine Chemistry

Publication details

Journal / source
Dalton Transactions
Volume
55
Issue
8
Pages
3534–3541
Publication date
1 January 2026
Language
EN