8 citations · 12 across the 4 of their papers we have counts for
5 papers · 1 filter
Computational Design of Boron-Free Triangular Molecules with Inverted Singlet-Triplet Energy Gap
M. W. Duszka, M. F. Rode, A. L. Sobolewski
A novel, computationally designed, class of triangular-shape organic molecules with an inverted singlet-triplet (IST) energy gap is investigated with the aid of ab initio methods o…
Photochemical Hydrogen Storage with Hexaazatrinaphthylene (HATN
Olaf Morawski, Paweł Gawryś, Jarosław Sadło +1
When irradiated with violet light, hexaazatrinaphthylene (HATN) extracts a hydrogen atom from an alcohol forming a long-living hydrogenated species. The apparent kinetic isotope ef…
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective
Wolfgang Domcke, Andrzej L. Sobolewski
In this perspective, we discuss a novel water-splitting scenario, namely the direct oxidation of water molecules by organic photooxidants in hydrogen-bonded chromophore-water compl…
Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry
Wolfgang Domcke, Andrzej L. Sobolewski, Cody W. Schlenker
We present a conspectus of recent joint spectroscopic and computational studies which provided novel insight into the photochemistry of hydrogen-bonded complexes of the heptazine (…
Solar energy harvesting with carbon nitrides: Do we understand the mechanism?
Wolfgang Domcke, Johannes Ehrmaier, Andrzej L. Sobolewski
The photocatalytic splitting of water into molecular hydrogen and molecular oxygen with sunlight is the dream reaction for solar energy conversion. Since decades, transition-metal-…