高圧下におけるC_6I_6の結晶および分子構造 [in Japanese] Crystal and Molecular Structures of C_6I_6 under High Pressure [in Japanese]
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Hexaiodobenzene (C<SUB>6</SUB>I<SUB>6</SUB>) is one of the organic monomolecular crystals indicating pressure-induced metallization. Our recent studies on x-ray powder diffraction experiments and Raman scattering spectral measurements of C<SUB>6</SUB>I<SUB>6</SUB> under high pressure are reviewed: pressurization in a preliminary process of the pressure-induced metallization causes six iodine atoms to be suspended from a benzene-ring accompanied by a decrease in intermolecular I-I distances. It follows from this that charge transfer interaction is mainly generated by the overlapping of a 5pz orbital of iodine and a π-orbital of carbon among the adjacent molecules which accelerates the molecular deformation.
- The Review of High Pressure Science and Technology
The Review of High Pressure Science and Technology 10(3), 214-220, 2000-08-20
The Japan Society of High Pressure Science and Technology