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One central aim of nanotechnology is the creation and exploitation of nanostructured materials with pre-programmed architecture and properties. The fabrication of functional nanostructures relies on versatile protocols of synthetic chemistry enabling the p ...
Recently, Hasserodt et al. proposed new HIV-1 drug candidates based on a weak N center dot center dot center dot CO interaction, designed to be a close transition state analog (Gautier et al. Bioorg. Med. Chem. 2006, 14, 3835-3847; Waibel et al. J. Bioorg. ...
The title compound, C5H10N2S5, was unintentionally obtained as the product of an attempted synthesis of a methyl-carbamodithioic acid using methylamine and carbon disulfide. In the molecule, two dithiocarbamate groups are bridged by a -CH2S- unit. The C-S- ...
The self-assembly of 4,4′-biphenyldicarboxylic acid on a Au(111) surface is investigated by means of in situ ultra-high-vacuum scanning tunneling microscopy. Three types of open networks with increasing interpore distance are observed. Experiments and theo ...
We show with DFT calculations that hydroxyl formation on anatase TiO2 from dissociation of water molecules is strongly enhanced by a nanostructured state of the oxide, involving the occurrence of complexes consisting of undercoordinated 4-fold Ti-2-fold O ...
Systematic studies of mass transfer interactions with intrinsic reaction kinetics were performed for the threephase selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) over a modified Pd/CaCO3 catalyst under solvent ...
In order to address the interplay of hydrogen bonding, dipolar interactions, and metal coordination, we have investigated the two-dimensional mono- and bicomponent self-assembly of three closely related diaminotriazine-based molecular building blocks and a ...
Both first-principles molecular dynamics and theoretical X-ray absorption spectroscopy have been used to investigate the aqueous solvation of cations in 0.5 M MgCl(2), CaCl(2), and NaCl solutions. We focus here on the species-specific effects that Mg(2+), ...
The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...
Two nitrile-functionalized alkyltriflouroborate anion based complexes [(Ph3P)(2)N][CH3CH(BF3)CH2CN] and [K(18-crown-6)][CH3CH(BF3)CH2CN] were synthesized and characterized by spectroscopic methods and single X-ray diffraction analysis. In the former comple ...
