The MS-Xα Studies of Sandwich Compound Ni(C5H5)2

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (11): 1675.

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The MS-X_α Studies of Sandwich Compound Ni(C₅H₅)₂

YU Wei-Zhou, CHANG Yi-De, ZHANG Ming-Yu

Institute of Theoretical Chemistry, State Key Laboratory of Computational Theoretical Chemistry, Jilin University, Changchun, 130023

Received:1993-11-22 Revised:1994-04-28 Online:1994-11-24 Published:1994-11-24

Abstract

Abstract: The calculations of the Xa electron energies and the normalization charges are carried out for Ni(C₅H₅)₂. The bonding essential is discussed. The ionization energies and one electron transition energies calculated by using the transition state procedure are in agreement with the corresponding photoelectron data and UV-visible absorption spectra respectively.

Key words: Transition metal sandwich compound, Spin-polarized, Non-spin-polarized, Absorption spectra

TrendMD:

YU Wei-Zhou, CHANG Yi-De, ZHANG Ming-Yu. The MS-X_α Studies of Sandwich Compound Ni(C₅H₅)₂[J]. Chem. J. Chinese Universities, 1994, 15(11): 1675.

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