Meso-[2.2]paracyclophanyltriphenylporphyrin: A simple representative of cyclophanylporphyrins

(R + S)Meso-[2.2]Paracyclophanyltriphenylporphyrin 3 , a member of a novel class of cyclophanylporphyrins, was obtained and characterized by spectroscopic and electrochemical methods. Compared to meso-tetra[2.2]paracyclophanylporphyrin 1, it represents a simplified structure designed for the investigation of electronic interactions between the [2.2]paracyclophane moiety and porphyrin core and for use in metallation reactions.     

Stereochemical applications of potential energy calculations : Part V. Conformational studies of some 1,1,2-trisubstituted ethanes by the molecular mechanics method (MM2)

The conformational distribution of some 1,1,2-trisubstituted ethanes was studied by the molecular mechanics method. An overall satisfactory correlation with experimental data is obtained, especially when these refer to experimental conditions excluding possible dimerization.     

Binding energy for inhomogeneous nuclear matter

For a spatial finite nuclear density distribution a binding energy formula is developed. A modified Thomas-Fermi method which deduces the mixed density by taking into account an anisotropic local momentum space occupation is used. This method presents the binding energy as a functional of the proton and neutron density distributions. It was possible within this framework to derive in a consistent way the energy correction terms due to density inhomogeneities. The structure of these energy correction terms is shown and an estimate is given for the adjustable parameters of this model to fit the experimental nuclear masses.     

Surface segregation and surface electronic interactions in PtCu

Photoemission and Auger electron spectroscopy on Pt_0.98Cu_0.02 show that the (110) face has over twice as much Cu surface segregation as the (111) face. The Cu 3d-derived surface “density of states” differ strikingly in peak shape and in width (by 0.5 eV). The centroids, compared with bulk Cu d states, are shifted by more than 0.3 eV towards the Fermi level. This is the first experimental correlation between surface segregation and surface bonding.     

Zum Randverhalten der Lösungen gewisser zweidimensionaler Variationsprobleme mit freien Randbedingungen

Ohne Zusammenfassung