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Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (5): 681.

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The Electronic Spectra and Structure of Iron Complex Cations with a Series of Valences (Ⅰ-Ⅵ)

LI Zhi-Ru, ZHENG Zhi-Ren, LI Qian-Shu, FENG Ji-Kang   

  1. Department of Chemistry, Jilin University, Changechun, 130023
  • Received:1992-03-09 Revised:1992-12-15 Online:1993-05-24 Published:1993-05-24

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Abstract: The iron complex cations with valences (Ⅰ- Ⅵ), Fe(OH)4n-(n=3,2,1),FeO(HO)3-1,FeO4n-(n=3,2) are studied by INDO/CImethod.The calculated values of wave numbers and oscillator strength of the bands correspond with the experimental results.We have assigned the bands and their nature of charge transfer.Regular change of the transitions with the valences of iron as well as the lables of the bands are observed.In addition, it is found that the characters of Fe-Obonds are non-covalent for Fe(Ⅰ) and Fe(Ⅱ), single bonds for Fe(Ⅲ) and Fe(Ⅳ), and double bonds for Fe (Ⅴ) and Fe(Ⅵ), respectively.

Key words: The spectra of iron complex of transient state, Fe(Ⅰ-Ⅵ), INDO/Cl, CT bands

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