Mu Lailong, Feng Changjun. Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds[J]. Chinese Journal of Chemical Physics , 2003, 16(1): 19-24. doi: 10.1088/1674-0068/16/1/19-24
Citation: Mu Lailong, Feng Changjun. Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds[J]. Chinese Journal of Chemical Physics , 2003, 16(1): 19-24. doi: 10.1088/1674-0068/16/1/19-24

Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds

doi: 10.1088/1674-0068/16/1/19-24
  • Received Date: 2002-02-04
  • The ionic polarizable ability parameter is definedasgi. The connectivity index of the polarizable abiltym G is introduced fromgiand based on the adjacency matrix of molecular topological graph. Because different ions should not have the same oxidation number or the same main quantum numbers, 0G、1G amongm G have good structural selection for inorganic molecules. The 0G and 1G of 64 alkali and alkaline-earth metal oxide halide, sulfide, selenide and telluride are calculated. The result shows: the 0G and 1G all have a positive correlation with the atomic number and size of molecules, but have a negative correlation with the atomic ploarizable ability in molecules. Since the standard entropy of compound increases with the atomic number of compounds an decreases with the atomic ploarizable ability, the standard entropies of compounds have a positive correlation with the 0G and 1G of compounds. The standard entropies of 64 alkali and alkaline-earth metal oxide, halide sulfide and selenide are correlated with the0Gand1Gof these compounds.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds

doi: 10.1088/1674-0068/16/1/19-24

Abstract: The ionic polarizable ability parameter is definedasgi. The connectivity index of the polarizable abiltym G is introduced fromgiand based on the adjacency matrix of molecular topological graph. Because different ions should not have the same oxidation number or the same main quantum numbers, 0G、1G amongm G have good structural selection for inorganic molecules. The 0G and 1G of 64 alkali and alkaline-earth metal oxide halide, sulfide, selenide and telluride are calculated. The result shows: the 0G and 1G all have a positive correlation with the atomic number and size of molecules, but have a negative correlation with the atomic ploarizable ability in molecules. Since the standard entropy of compound increases with the atomic number of compounds an decreases with the atomic ploarizable ability, the standard entropies of compounds have a positive correlation with the 0G and 1G of compounds. The standard entropies of 64 alkali and alkaline-earth metal oxide, halide sulfide and selenide are correlated with the0Gand1Gof these compounds.

Mu Lailong, Feng Changjun. Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds[J]. Chinese Journal of Chemical Physics , 2003, 16(1): 19-24. doi: 10.1088/1674-0068/16/1/19-24
Citation: Mu Lailong, Feng Changjun. Topological Research on Standard Entropies of Alkali and Alkaline Earth Metal Compounds[J]. Chinese Journal of Chemical Physics , 2003, 16(1): 19-24. doi: 10.1088/1674-0068/16/1/19-24

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