Molecular Crystals and Molecules by A. I. Kitaigorodsky

By A. I. Kitaigorodsky

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Varying the value of translation t2 normal to tl and by the operation of the glide line perpendicular to tx and spaced from the origin we may move the next row of molecules relative to the initial row so that each molecule in this row touches two molecules in the initial row, and a layer with coordination 6 is formed. The second glide line perpendicular to the first one and passing \t2 from the center of inversion originates as a derivative of the combined action of the center and the glide line normal to the latter Fig.

As can be seen from Fig. 6 Â. It is natural, therefore, that the minimum of energy is associated with the trans configuration (φ = 0°). The same conclusion is suggested by calculations of conformation energy (Chapter VII). The hydrogen atoms of methylene groups are positioned in planes passing through the carbon atoms perpendicular to the chain axis. They were clearly detected in the electron-diffraction study of Vainshtein and Pinsker [30]. The H - C - H angle is a b o u t 108-109°. b. Results of Experimental Structure Studies The study of the structures and properties of the elementary chain compounds under discussion entails a number of special difficulties.

The minimum of potential energy is associated with the trans configuration (φ = 0). The structural justification of the advantages offered by such a configuration is given by an analysis of the interactions between atoms unrelated through valence bonds. The angles between the bonds in the aliphatic chain are fixed as a result of the mutual interaction between all the four atoms bonded to each given carbon atom. 5°). This certainly must be so from the viewpoint of the mechanical model of the molecule (see Chapter VII) offered by the author [29], in which all the deviations from ideal angles in aliphatic compounds are ascribed to the repulsion of atoms unrelated by valence bonds.

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