期刊
JOURNAL OF STRUCTURAL CHEMISTRY
卷 42, 期 6, 页码 882-887出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1023/A:1015036114218
关键词
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The sublattice method developed earlier is used to study chemical bonding in series of oxyanion compounds MAO(3) (M = Li, Na, K, Rb, Tl, Mg, Ca; A = C, N, Cl, Br). It is established that electrons pass from the metal sublattice to the anion plane so that the density maxima of the metal occupy the space between the anions. This leads to the formation of the ionic component of the bond between the metal and anion planes. More complex electron redistribution occurs between sublattices A and O, leading to a covalent bond inside the molecular group AO(3). For carbonates, the difference density qualitatively agrees with the experimentally determined deformation density.
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