Are Halide···Halide Contacts a Feature of Rock-Salts Only?
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https://figshare.com/articles/dataset/Are_Halide_Halide_Contacts_a_Feature_of_Rock_Salts_Only_/3026485
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资源简介:
The electron density distribution function in the crystalline hydroxylammonium chloride obtained using the
high-resolution X-ray diffraction technique was analyzed by means of Bader's “atoms in molecule” theory.
The anion−anion interactions in the crystal of this ionic material were examined and the energy of the Cl-···Cl-
contacts was estimated on the basis of the experimental data. The results obtained coincide well with the
theoretical calculations and the X-ray diffraction data for the rock-salts. The existence of such type of
interactions was shown to be not the unique feature of inorganic salts with point charge cations.
创建时间:
2007-02-15



