
Polyhedron 2021, 203, 115228
The photogeneration of X2is the key to achieving an efficient HX-splitting photocycle, as it is more ther-modynamically and kinetically challenging than its H2half reaction counterpart. Here we report a strat-egy that enables Cl2photoelimination from low-valent binuclear d9–d9and d9–d10Ni complexes. Wedemonstrate the importance a of metal–metal bond interaction for M–X bond photoactivation with acombination of TD-DFT computations together with spectroscopy and photocrystallography, exemplify-ing a design principle for future developments of 3d metal complexes for HX photocatalysis
https://www.sciencedirect.com/science/article/pii/S0277538721002102
Seung Jun Hwang, Ryan G. Hadt, Serge Ruccolo , David Gygi , Shao-LiangZheng , Yu-Sheng Chen , Daniel G. Nocera
1 Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, MA 02138, USA
2 Department of Chemistry, POSTECH, Pohang 37673, South Korea
3 Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA
4 Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA
5 ChemMatCARS, The University of Chicago, Argonne, IL 60439, USA