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A calibrated B3LYP/6-311++G(2df,2p)//B3LYP/6-31+G(d) method was found to be able to predict the gas-phase adiabatic ionization potentials of 160 structurally unrelated organic molecules with a precision of 0.14 eV. A PCM solvation model was benchmarked that could predict the pK(a)'s of 15 organic acids in acetonitrile with a precision of 1.0 pK(a) unit. Combining the above two methods, we developed a generally applicable protocol that could successfully predict the standard redox potentials of 270 structurally unrelated organic molecules in acetonitrile. The standard deviation of the predictions was 0.17 V. The study demonstrated that computational electrochemistry could become a powerful tool for the organic chemical community. It also confirmed that the continuum solvation theory could correctly predict the solvation energies of organic radicals. Finally, with the help of the newly developed protocol we were able to establish a scale of standard redox potentials for diverse types of organic free radicals for the first time. Knowledge about these redox potentials should be of great value for understanding the numerous electron-transfer reactions in organic and bioorganic chemistry.

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Artificial inorganic leafs are developed by organizing light harvesting, photoinduced charge separation, and catalysis modules (Pt/N‐TiO2) into leaf‐shaped hierarchical structures using natural leaves as biotemplates (see figure). The enhanced light‐harvesting and photocatalytic water‐splitting activities stem from the reproduction of the leafs' complex structures and self‐doping of nitrogen during synthesis. The research may represent an important first step toward the design of novel artificial solar‐energy transduction systems based on natural concepts, particularly on mimicking the structural design.

Simplified procedure: A new catalytic route was developed for the conversion of biomass carbohydrates into γ‐valerolactone (GVL) without using an external H2 supply. A model experiment with glucose provided γ‐valerolactone in 48 % yield. An interesting positive effect of CO2 on the Ru‐catalyzed hydrogenation was also observed. py=pyridine.