Semipinacol Rearrangement of Cyclopropenylcarbinols for the Synthesis of Highly Substituted Cyclopropanes
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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 ...
This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
Using density functional theory with a van der Waals-corrected functional, we elucidate how CO 2 binds to a novel "BTT-type" metal-organic framework (MOF) featuring open metal centers. We show that CO 2 binds most favorably to open metal cation sites, but ...
A thorough experimental and computational study has been carried out to elucidate the mechanistic reasons for the high volumetric uptake of methane in the metal-organic framework Cu-3(btc)(2) (btc(3-) = 1,3,5-benzenetricarboxylate; HKUST-1). Methane adsorp ...
American Chemical Society2015
We use the multiscale simulation approach, which combines the first-principles calculations and grand canonical Monte Carlo simulations, to comprehensively study the doping of a series of alkali (Li, Na, and K), alkaline-earth (Be, Mg, and Ca), and transit ...
Natural colloids are defined as macromolecules and nanoparticles with sizes ranging between 1 nm and 1 µm. Colloidal pool is complex "ill-defined" mixture of humic substances, exopolymeric substances (EPS), inorganic oxides, clays, etc. Aquatic colloids ha ...
In light of the already proven applications of transition-metal (TM) oxide clusters, including catalysis, selective sorption, sepns., mol. recognition, environmental decontamination, and nanotechnol., one can imagine that the development of framework mater ...
The properties of mesoporous materials hinge on control of their compn., pore dimensions, wall thickness, and the size and shape of the crystallite building units. We create ordered mesoporous materials in which all of these parameters are independently co ...
Control over the structure of metals at the mesoscale (2-50 nm) is crucial for emerging applications such as energy conversion, sensing, and information processing. The self-assembly of nanoparticles with block copolymers provides a natural entry point to ...
Surface-confined molecular networks can serve as templates to steer the adsorption and organization of secondary ligands, metal atoms, and clusters. Here, the incorporation of Ni atoms and clusters into open two-dimensional robust metal-organic templates s ...
