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201.
Schmitt M Brause R Marian CM Salzmann S Meerts WL 《The Journal of chemical physics》2006,125(12):124309
The lowest electronically excited singlet states of tryptamine and the tryptamine (H2O)1 cluster have been studied, using time dependent density functional theory for determination of the geometries and multireference configuration interaction for the vertical and adiabatic excitation energies, the permanent dipole moments, and the transition dipole moment orientations. All molecular properties of the seven experimentally observed conformers of tryptamine could be reproduced with high accuracy. A strong solvent reorientation has been found upon electronic excitation of the 1:1 water cluster of tryptamine to the L(a) and L(b) states. The adiabatically lowest excited singlet state in case of the tryptamine monomer is the L(b) state, while for the 1:1 water complex, the L(a) is calculated below the L(b) state. 相似文献
202.
Dr. Ram Kumar Dr. Yang Song Anissa Ghoridi Dr. Philippe Boullay Prof. Gwenaelle Rousse Prof. Christel Gervais Dr. Cristina Coelho Diogo Dr. Houria Kabbour Dr. Capucine Sassoye Patricia Beaunier Dr. Victor Castaing Dr. Bruno Viana Dr. Maria Luisa Ruiz Gonzalez Prof. José Gonzalez Calbet Prof. Christel Laberty-Robert Dr. David Portehault 《Angewandte Chemie (International ed. in English)》2023,62(26):e202303487
Mixed-anion compounds widen the chemical space of attainable materials compared to single anionic compounds, but the exploration of their structural diversity is limited by common synthetic paths. Especially, oxychlorides rely mainly on layered structures, which suffer from low stability during photo(electro)catalytic processes. Herein we report a strategy to design a new polar 3D tetrahedral framework with composition Zn4Si2O7Cl2. We use a molten salt medium to enable low temperature crystallization of nanowires of this new compound, by relying on tetrahedral building units present in the melt to build the connectivity of the oxychloride. These units are combined with silicon-based connectors from a non-oxidic Zintl phase to enable precise tuning of the oxygen content. This structure brings high chemical and thermal stability, as well as strongly anisotropic hole mobility along the polar axis. These features, associated with the ability to adjust the transport properties by doping, enable to tune water splitting properties for photoelectrocatalytic H2 evolution and water oxidation. This work then paves the way to a new family of mixed-anion solids 相似文献