Saturated shell models

Figure 6.7 Illustration of a core-shell tecto(dendrimer) partial shell and saturated shell models.

Scheme 1 Reaction scheme for saturated shell model where all surface den-drimers are carboxylic acid terminated...

Uppuluri, S. Swanson. D.R. Piehler, L.T. Li. J. Hagnauer, G.L. Tomalia, D.A. Core-shell tecto(dendri-mers) I. Synthesis and characterization of saturated shell models. Adv. Mater. 2000. 12. 796-800. 

In the prototype molecule approach the dangling bonds are usually saturated by hydrogen atoms. This procedure, although not without controversy, offers a simple recipe for obtaining closed shell model molecules, with well-defined electronic states, easily tractable with quantum chemical methods. 

Efforts to use relativistic dynamics to describe nuclear phenomena began in the 1950s with application to infinite nuclear matter. Johnson and Teller [Jo 55] developed a nonrelativistic field theory for interacting nucleons and neutral, scalar mesons which served as a catalyst for Duerr, who, in a landmark paper [Du 56], developed a relativistic invariant version of the Johnson and Teller model which included both scalar and vector meson fields. He showed that nuclear saturation and the strong spin-orbit potential of the shell model could be readily understood. He also predicted a single particle potential which qualitatively reproduced the real part of the central optical potential well depth and its energy dependence for incident kinetic energies up to 200 MeV. 

The M-K theory of the role of dielectric saturation has led to many discussions and comments. In the first place, the occurrence of dielectric saturation is not established beyond doubt by molecular dynamics simulations even though these are sometimes described as computer experiments , they cannot replace actual observations of the natural world. The results of such simulations depend on the assumptions made in the model itself other authors claim that dielectric saturation becomes important only in the neighborhood of very small ions like Li+ in water, but that it is negligible in the solvent shell of the larger molecular ions involved in e.t. processes [88], At the present time, it appears therefore that no experimental... 

Aqueous Solvation.—A review, covering the 1968—1972 publications, deals with physical properties, thermodynamics, and structures of non-aqueous and aqueous-non-aqueous solutions of electrolytes, and complete hydration limits. Thermodynamic aspects of ionic hydration also reviewed include the thermodynamic theory of solvation the molecular interpretation of ionic hydration hydration of gaseous ions (AG s, H s, and AA s) thermodynamic properties of ions at infinite dilution in water, solvent isotope effect in hydration reference solvents and ionic hydration and excess properties. A third review on the hydration of ions emphasizes the structure of water in the gaseous, liquid, and solid states the size of ions and the hydration numbers of ions and the structure of the hydrated shell from measurements of mobility, compressibility, activity, and from n.m.r. spectra. Pure water and aqueous LiCl at concentrations up to saturation have been examined by neutron and X-ray diffraction. For the neutron studies LiCl and D2O are employed. The data are consistent with a simple model involving only... 

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