Corey-Pauling-Koltun space-filling models

Corey-Pauling-Koltun—space filling models for the study of stereochemistry... 

The space filling model developed by Corey, Pauling, and Koltun is also known as the CPK model, or scale model [197], It shows the relative volume (size) of different elements or of different parts of a molecule (Figure 2-123d). The model is based on spheres that represent the "electron cloud . These atomic spheres can be determined from the van der Waals radii (see Section 2.10.1), which indicate the most stable distance between two atoms (non-bonded nuclei). Since the spheres are all drawn to the same scale, the relative size of the overlapping electron clouds of the atoms becomes evident. The connectivities between atoms, the bonds, are not visualized because they are located beneath the atom spheres and are not visible in a non-transparent display (see Section 2.10). In contrast to other models, the CPK model makes it possible to visualize a first impression of the extent of a molecule. 

A semi-quantitative structure-taste relationship has been derived97 and extended98 for carbosulphamates using Corey-Pauling-Koltun (CPK) space-filling models for measurements of parameters. Structure-taste relationships for heterosulphamates were developed... 

If we model each atom in a molecule as a sphere of radius equal to the van der Waals radius of the atom (for bonded atoms, these spheres overlap, and the spheres of bonded atoms are truncated), the van der Waals surface of a molecule is defined by the outwardfacing surfaces of these atomic spheres. The van der Waals surface is what one sees in the familiar space-filling CPK (R. B. Corey-Pauling-Koltun) molecular models. In discussing intermolecular interactions, the MEPs in the regions on and outside the van der Waals surface are most significant. 

A visualization tool, which gives some impression of the volume and the outer shape of a molecule, is the space-filling model of Corey, Pauling, and Koltun (CPK-model). > Herein, atoms are represented as intersecting spheres with radii roughly... 

Figure IIB. A space-filling representation of the framework drawing of psilocin depicted in Figure llA. The molecular structures depicted in the figures in this chapter are two-dimensional, line-drawing representations of the molecules that show how the atoms are connected and allow for ready comparison of similarity between molecules. Molecules actually have three-dimensional shapes in which each of the constituent atoms occupies a volume defined by its cloud of electrons. Linus Pauling and two of his colleagues, Robert Corey and Walter Koltun, first developed a form of molecular models to depict the 3-dimensional space-filling aspect of molecules in the way shown in this figure.

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