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The electronic structure and chemical bonding of the title comp-lexes have been studied by an unrestricted INDO program made applicable forthe lanthanoid compounds.The results indicated:(1)In coordinated bonds O-Lnand N-Ln,5d orbitals of Ln have large contribution in all valence orbitalsof Ln and 4f orbitals have very small contribution.(2)The covalent chara-cter and ionic character are almost equal in the chemical bond which iscomparatively weak between phen,C_2H_5OH and Ln are mainly ionic with somecovalent character.
The electronic structure and chemical bonding of the title comp-lexes have been studied by an unrestricted INDO program made applicable forthe lanthanoid compounds.The results indicated: (1) In coordinated bonds O-Lnand N-Ln, 5d orbitals of Ln have large contribution in all valence orbitalsof Ln and 4f orbitals have very small contribution. (2) The covalent chara-cter and ionic character are almost equal in the chemical bond which iscomparatively weak between phen, C_2H_5OH and Ln are mainly ionic with somecovalent character.