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Citation: Li Zhenxiang, Wang Shenglong, Wang Fosong. A QUANTUM CHEMISTRY STUDY ON PRASEODYMIUM CHLORIDE BOND ACTIVATED BY ISOPROPANOL[J]. Chinese Journal of Applied Chemistry, ;1986, 3(4): 72-74. shu

A QUANTUM CHEMISTRY STUDY ON PRASEODYMIUM CHLORIDE BOND ACTIVATED BY ISOPROPANOL

1.
Changchun Institute of Applied Chemistry. Academia Sinica

Received Date: 28 May 1985
Available Online: 30 December 1985

The calculated results by INDO method show that in the PrCl₃(OC₄H₈)₃ comlex the bond orders of Pr-Cl bond are decreased and the energies of the molecular orbitals corresponding to them are increased. The results imply a charge transfer from O to Pr caused by coordination, leading to decreasing the Pr-Cl bond energy,and the reduction of the charge difference between Pr and Cl would increase the covalent percentage of Pr-Cl bond.It is expected that the alkylation reaction may be then carried out favorably and the complex activation would be selective for Pr-Cl bond due to the formation of dipolymer.
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