Quantum Chemical Investigations on C14C10-Branched-Chain Glucoside Isomers Towards Understanding Self-Assembly

1V.B.l.f QUANTUM CHEMICAL INVESTIGATIONS QUANTUM CHEMICAL INVESTIGATIONS OF HEME PROTEINS AND FERREDOXINS

SUMEX is used for the calculation of various one-electron electromagnetic properties of iron containing compounds. The programs were formulated and written by David Steinberg, Michael Chadwick, and David Lo. David Lo was responsible for converting the programs for interactive use on the PDP system. Slight improvements were made by Robert Kirchner, and Sheldon Aronowitz is currently expanding th...

Controlling and Understanding Self-Assembly

Self-assembly in chemical systems

The development of a simple approach to studying self-assembly processes in the chemical laboratory began with an investigation of the donor/acceptor complexes formed between (a) crown ethers, like bisparaphenylene-34crown10, and 4,4 '-bipyridinium dications, such as paraquat, and (b) tetracationic cyclophanes, like cyclobis(paraquat-p-phenylene), and neutral substrates, such as 1.4dimethoxyben...

Towards Understanding Catalytic processes for the Reactivity of Hydrocarbons on Rh Surface: A Quantum Chemical Study

The demand of compact and energy saving procedures for the synthesis of H2, synthesis gas and olefins from hydrocarbon fuel is expanding very rapidly as these are essentially needed in fuel cells, additive for fuel and for the cleaning and purification of flue gas. The concern is in particular to more efficient and environmentally more compatible concepts of the energy supply and reduction of p...

Towards understanding the chemical environment effect on gold-containing clusters

Gold clusters and nanoparticles have attracted continuous attention due to interesting and important electronic, catalytic and optical properties [1,2]. As the chemical environment strongly affects the catalytic properties, an understanding of this is essential to be able to control these properties. In order to study the influence of the ligand shell on the catalytic properties we have studied...

Self-assembly and chemical reactivity of alkenes on platinum nanoparticles.

Stable platinum nanoparticles were synthesized by the self-assembly of alkene derivatives onto the platinum surface, possibly forming platinum-vinylidene (Pt═C═CH-) or -acetylide (Pt-C≡) interfacial bonds as a result of dehydrogenation and transformation of the olefin moieties catalyzed by platinum. Transmission electron microscopic measurements showed that the nanoparticles were well-dispersed...