Supplementary Data: 4CzIPN Photosensitizes the Cobaloxime-catalyzed Light-Driven Hydrogen Evolution Reaction

Absorption & Fluorescence Data: Contains two .csv files from UV-Vis absorption spectroscopy of 4CzIPN and cobaloxime in acetonitrile (MeCN) and one .sp file (ASCII) from fluorescence spectroscopy of 4CzIPN in MeCN. Emission Decay: Contains the raw data obtained from time-correlated single photon counting spectroscopy of 4CzIPN with increasing amounts of quencher (ammonium ascorbate). Hydrogen Evolution GC 4CzIPN: Contains the raw data obtained from gas chromatography from hydrogen evolution reaction and one Excel sheet for explanation. CV 4CzIPN: Contain the raw data of the cyclic voltammogram of 4CzIPN in MeCN. UV-Vis SEC 4CzIPN: Contains the UV-Vis spectrum of 4CzIPN and its corresponding radical anion from SEC measurement. In addition, it also contains the raw data of the cyclic voltamogram of 4CzIPN during SEC. Additional Hydrogen Evolution GC 4CzIPN: Contains the raw data obtained from gas chromatography from additional hydrogen evolution reactions and one Excel sheet for explanation. Stability 4CzIPN UV-Vis: Contains the raw UV-Vis data of 4CzIPN after 0 and 20 h of irradiation. Radiometry_data: Contains the radiometry data and the corresponding analysis files. Computational details: PS-4CzIPN and CAT-CoOxime The fully relaxed equilibrium structures (as XYZ-files) of the 4CzIPN photosensitizer within its singlet ground state (S0), first excited singlet state (S1) and lowest energy triplet state (T1). Further, simulated structural properties of the CoOxime catalyst are provided in its non-reduced state (S0), as well as in its singly (red1) reduced form as doublet and quartet (D0 and Q0) as well as in its double reduced (red2) form as singlet and triplet species (S0 and T1). All calculations were performed at the PBE0/def2svp level of theory using a implicit solvent model (SMD: acetonitrile). Electronic characters of (ground state) open-shell species are indicated by spin densities and charge density difference plots for the corresponding electronic transitions. High resolution images as well as cube-files are provided accordingly.