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Electronic structures of multi-decker transition metal sandwich complexes

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Abstract

The electronic structures of multi-decker transition metal sandwich complexes are discussed according to the structure rules for transition metal heterocarboranes. A series of skeletons of the structures Fe2C5(D5h), Ni2C5(D5h), V2C6(D6h), Co2C6(D6h), and Fe2C4(D4h) are calculated using the EHMO method. The calculated results show that the number of valence bonding orbitals (VBO) can vary as the distance between the metal atoms in the metalocenes is increased. This fact can be used to explain the number of valence electrons (VE) in triple-decker sandwich complexes. The conclusions are proved and discussed through a theoretical analysis of the electronic structures of such complexes and through EHMO calculations for actual compounds containing 29–34 valence electrons.

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References

  1. Summervill R H, Hoffmann R (1979) J Am Chem Soc: 101:3821

    Google Scholar 

  2. Fischer R D (1963) Theor Chim Acta 1:418

    Google Scholar 

  3. Lauher J W, Elian M, Summerville R H, Hoffmann R (1976) J Am Chem Soc 98:3219

    Google Scholar 

  4. Werner H (1977) Angew Chem Int Ed Eng 16:1

    Google Scholar 

  5. Edwin J, Bochmann M, Böhm M C, Brennan D E, Geiger W E, Krüger C, Pebler J, Pritzkow H, Siebert W, Swiridoff W, Wadepohl H, Weiss J, Zenneck U (1983) J Am Chem Soc 105:2582

    Google Scholar 

  6. Tang Au-chin, Yang Zhong-zhi, Feng Sing-hong (1982) Kexue Tongbau 27:83

    Google Scholar 

  7. Wade K (1971) J Chem Soc Chem Commun 792

  8. Wade K (1976) Adv Inorg Chem Radiochem 18:1

    Google Scholar 

  9. Tang Au-chin, Li Qian-shu (1986) Int J Quantum Chem 29:579

    Google Scholar 

  10. Schumacher E, Taubenest R (1964) Helv Chim Acta 47:1525

    Google Scholar 

  11. Werner H, Salzer A (1972) Synth Inorg Met-org Chem 2:239

    Google Scholar 

  12. Salzer A, Werner H (1972) Angew Chem 84:949

    Google Scholar 

  13. Dubler E, Textor M, Oswald H R, Salzer A (1974) Angew Chem 86:125

    Google Scholar 

  14. Beer D C, Miller V R, Sneddon L G, Grimes R N, Mathew M, Palenik G J (1973) J Am Chem Soc 95:3046

    Google Scholar 

  15. Grimes R N, Beer D C, Sneddon L G, Miller V R, Weiss R (1974) Inorg Chem 13:1138

    Google Scholar 

  16. Siebert W, Bochmann M (1978) Angew Chem 90:917

    Google Scholar 

  17. Siebert W, Bochmann M (1977) Angew Chem Int Ed Eng 16:857

    Google Scholar 

  18. Kohler F H, Zenneck U, Edwin J, Siebert W (1981) J Organomet Chem 208:137

    Google Scholar 

  19. Siebert W, Böhle C, Krüger C (1980) Angew Chem 92:758

    Google Scholar 

  20. Siebert W, Rothermel W, Bohle C, Kruger C, Brauer J (1979) Angew Chem 91:1014

    Google Scholar 

  21. Siebert W, Kinberger K (1976) Angew Chem 88:451

    Google Scholar 

  22. Siebert W (1977) Nachr Chem 25:597

    Google Scholar 

  23. Jonas V K (1985) Angew Chem 97:920

    Google Scholar 

  24. Jonas V K, Koepe G, Schieferstein L, Mynott R, Krüger C, Tsay Y H (1983) Angew Chem Int Ed Eng 22:620

    Google Scholar 

  25. Clack D W, Warren K D (1979) Inorg Chem 18:513

    Google Scholar 

  26. Siebert W, Kinberger K (1976) Angew Chem Int Ed Engl 15:434

    Google Scholar 

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Authors and Affiliations

  1. Institute of Theoretical Chemistry, Jilin University Changchun, Jilin, People's Republic of China

    Li Qian-shu, Yu Heng-tai & Tang Au-chin

Authors
  1. Li Qian-shu
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  2. Yu Heng-tai
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  3. Tang Au-chin
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Qian-shu, L., Heng-tai, Y. & Au-chin, T. Electronic structures of multi-decker transition metal sandwich complexes. Theoret. Chim. Acta 70, 379–389 (1986). https://doi.org/10.1007/BF00540031

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  • DOI: https://doi.org/10.1007/BF00540031

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