关键词: ESR, 铜化合物, 分子轨道系数, 分子筛

Abstract: A linear correlation of g_‖ and A_‖ of cupric ion were found for some copper compounds of particular ligands. Relationships between the correlation and structures of coppercontaining compounds have been examined. It is indicated that the relation is concerned with molecular symmetry and properties of a bonding molecular orbit. It is shown that a higher symmetry and a lower covalency of the copper-ligand bondings result in increasing of g_‖ and decreasing of A_‖ absolute value. It is also shown that there is a linear relation between g_‖ vs. β₁² and A_‖ vs. β₁², respectively, for some Cu (Ⅱ)-compounds. By means of experimental values of g_‖and A_‖, an empirical method used to estimate approximate values of β₁² in molecular orbital coefficients is introduced.

Key words: ESR, cupric compound, molecular orbital coefficient zeolite