Russian Chemical Bulletin

, Volume 44, Issue 10, pp 1845–1847 | Cite as

Role of steric factors in formation of O—H...M hydrogen bonds with metallocenes

  • T. V. Timofeeva
  • E. S. Shubina
  • A. N. Krylov
  • L. M. Epshtein
Physical Chemistry


Molecular mechanics calculations of geometric parameters and energies of molecular complexes with a O-H...M hydrogen bond have been performed for osmocene and decamethylosmocene with three proton donors. The results of calculations demonstrated that when rings are methylated, steric hindrances to formation of this hydrogen bond increase. This is the reason for anomalously low formation constants of H-bonded Cp 2 * M molecular associates compared to CP2M associates.

Key words

metallocenes M...H-X hydrogen bond IR spectroscopy molecular mechanics 


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Copyright information

© Plenum Publishing Corporation 1995

Authors and Affiliations

  • T. V. Timofeeva
    • 1
  • E. S. Shubina
    • 1
  • A. N. Krylov
    • 1
  • L. M. Epshtein
    • 1
  1. 1.A. N. Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussian Federation

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