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In analogy to the authors' successful PX2+ insertion reactions, an AsX2+ insertion route was explored to obtain new arsenic halogen cations. Two new salts were prepd.: AsBr4+[Al(OR)4]-, starting from AsBr3, Br2 and Ag[Al(OR)4], and I2As-PI3+[Al(OR)]4 from ...
Structured progressions, assocd. with the Cl-Rg+ and H-Rg+ charge transfer species, are obsd. for Cl and H atoms isolated in Kr and Xe (Rg) crystals and are assigned as transitions to Rydberg states. The Rydberg levels correspond to delocalized pos. hole s ...
The development of materials and devices at the nanoscale presents great challenges, from synthesis to assembly to characterization. Often, progress can only be made by complementing work with electronic-structure modeling, harnessing the efficiency, predi ...
Rydberg series obsd. in the excitation spectra of Cl and H atoms isolated in the rare gas (Rg) crystals Kr and Xe are assocd. with the charge transfer species Cl-Rg+ and H-Rg+. The progressions originate from hole states of Rg+ which converge to the top of ...
Quantum state-resolved sticking coefficients on Pt(111) and Ni(111) surfaces have been measured for CH4 excited to the first overtone of the antisymmetric C-H stretch (2ν3) at well defined kinetic energies in the range of 10-90 kJ/mol. The ground state rea ...
Semi-Lagrangian (SL) schemes are of utmost relevance to simulate two-phase flows where advection dominates. The combination of SL schemes with the finite element (FE) method and arbitrary Lagrangian-Eulerian (ALE) dynamic meshes yields a strong ingredient ...
Electronic states and solvation of Cu and Ag aqua ions are investigated by comparing the Cu2+ + e- -> Cu+ and Ag2+ + e- -> Ag+ redox reactions using d. functional-based computational methods. The coordination no. of aq. Cu2+ is found to fluctuate between 5 ...
