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单词 Thermal ellipsoid
释义

Thermal ellipsoid

英语百科

Thermal ellipsoid

A thermal ellipsoid model of one stable conformation of the organic molecule, diphenyl ether, formulae
C12H10O or (C6H5)2O, abbreviated Ph2O. Carbons (C ) are shown in black, hydrogens (H) in grey-white, and the oxygen (O) in red. The thermal ellipsoids are set at a 50% probability level, and the positions of atoms and the anisotropies of position reflected in the ellipsoids derive from a crystal structure of the molecule.[1]
A thermal ellipsoid model of the coordination environment of the chlorine atom in ClO+2 (chloryl), formula [ClO2][SbF6]. The chlorine atom (Cl) is in the +5 oxidation state, and is at the center in bright green; the two oxygens (O) are in red, and four fluoride anions from a hexafluoroantimonate (SbF6) anion that coordinate to the electropositive chlorine atom are shown in yellowish-green at the periphery, at right (with light lines indicating the coordinating F-Cl interactions. This reactive compound is prepared by treatment of FClO2 with the perfluoro-Lewis acid, SBF5.[2] The origin of the data for the image (the crystal structure publication) is unknown.

Thermal ellipsoids, more formally termed atomic displacement parameters, are ellipsoids used in crystallography to indicate the magnitudes and directions of the thermal vibration of atoms in crystal structures. Since the vibrations are usually anisotropic (different magnitudes in different directions in space), an ellipsoid is a convenient way of visualising the vibration and therefore the symmetry and time averaged position of an atom in a crystal.

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更新时间:2025/6/18 11:57:07