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1 Recent years have seen a rapid increase in the need for high-performance computing. These demands come from disciplines such as particle physics traditionally relying on High Performance Computing (HPC) but lately also from the various branches of life science that have matured into quantitative disciplines. The classical infrastructure of university(More)
After decades of vituperative debate over the classical or nonclassical structure of the 2-norbornyl cation, the long-sought x-ray crystallographic proof of the bridged, nonclassical geometry of this prototype carbonium ion in the solvated [C7H11](+)[Al2Br7](-) • CH2Br2 salt has finally been realized. This achievement required exceptional treatment.(More)
The syntheses of the phosphonyl-substituted ferrocenyl stannane Fe[{η (5)-C5H3-1-SnPh3-2-P(O)(O-iPr)2}{η (5)-C5H4P(O)(O-iPr)2}] (1) and its iodine derivative Fe[{η (5)-C5H3-1-SnPh2I-2-P(O)(O-iPr)2}{η (5)-C5H4P(O)(O-iPr)2}] (2) are reported. The syntheses of the corresponding salts Fe[{η (5)-C5H3-1-SnPh2-2-P(O)(O-iPr)2}{η (5)-C5H4P(O)(O-iPr)2}]X (3,(More)
The possibility of obtaining frustrated Lewis pairs (FLPs) suitable for H2-activation based on the Lewis acid B(Ohfip)3 1 (Ohfip = OC(H)(CF3)2) was investigated. In this context, the crystal structure of 1 as well as the crystal structure of the very weak adduct 1·NCMe was determined. When reacting solutions of 1 with H2 (1 bar) and selected phosphanes,(More)
A more detailed and regularly updated program manual can be found on the programs main web site The Windows installer (Kymoto, 2014) creates the desired install directory and copies the program files in this directory. A start menu entry is generated with a link to both the user and main database as well as a link to the user manual. Additionally, the(More)
Group 13 M(I) compounds often disproportionate into M(0) and M(III). Here, however, we show that the reaction of the M(I) salt of the weakly coordinating alkoxyaluminate [Ga(I)(C6H5F)2](+)[Al(OR(F))4](-) (R(F)=C(CF3)3) with 2,2'-bipyridine (bipy) yields the paramagnetic and distorted octahedral [Ga(bipy)3](2+)(•){[Al(OR(F))4](-)}2 complex salt. While the(More)
The facile gold-mediated skeletal rearrangement of [7]-helicene into a cationic polyaromatic hydrocarbon is described. We report in-depth studies on the structure and aromaticity of this novel stable cation and propose a mechanism for its formation.