Citation: Nan DONG, Long Guan ZHU, Nian Ci WU. INDO STUDIES ON THE ELECTRONIC STRUCTURE OF [Ln(CCl₃COO)₃·phen·C₂H₅OH]₂ (Ln=Pr,Sm)[J]. Chinese Chemical Letters, ;1992, 3(8): 649-650. shu

INDO STUDIES ON THE ELECTRONIC STRUCTURE OF [Ln(CCl₃COO)₃·phen·C₂H₅OH]₂ (Ln=Pr,Sm)

Department of Chemistry, Hangzhou University, Hangzhou 310028

Received Date: 9 January 1992

Fund Project: We are grateful to Prof.Li Lemin and Dr.Gao Song for the INDO program and the National Natural Science Foundation of China for support.

The electronic structure and chemical bonding of the title complexes have been studied by an unrestricted INDO program made applicable for the lanthanoid compounds.The results indicated: (1) In coordinated bonds O-Ln and N-Ln,5d orbitals of Ln have large contribution in all valence orbitals of Ln and 4f orbitals have very small contribution. (2) The covalent character and ionic character are almost equal in the chemical bond which is comparatively weak between phen,C₂H₅OH and Ln are mainly ionic with some covalent character.
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