Theoretical study of the structure of molecules of alkali metal acetylenides and carbides

  • N. M. Vitkovskaya
  • T. É. Moskovskaya
  • V. G. Zakzhevskii
  • B. A. Trofimov
Physical Chemistry

Conclusions

  1. 1.

    According to data from nonempirical calculations, the reactivity of alkali metal acetylenide molecules toward electrophilic and nucleophilic reagents increases relative to the acetylene molecule.

     
  2. 2.

    The vinylidene forms MHC=C rearrange to MC=CH in a barrier-free manner as a result of migration of the alkali metal atom. Acetylenides are structurally nonrigid molecules due to the quasifree motion of the alkali metal atom (but not of the H atom).

     
  3. 3.

    The nonrigidity of the alkali metal carbide molecules is connected with the possibility of synchronous shift of the metal atoms.

     

Keywords

Migration Carbide Acetylene Alkali Metal Metal Atom 

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Copyright information

© Plenum Publishing Corporation 1988

Authors and Affiliations

  • N. M. Vitkovskaya
    • 1
    • 2
  • T. É. Moskovskaya
    • 1
    • 2
  • V. G. Zakzhevskii
    • 1
    • 2
  • B. A. Trofimov
    • 1
    • 2
  1. 1.A. A. Zhdanov State UniversityIrkutsk
  2. 2.Irkutsk Institute of Organic Chemistry, Siberian BranchAcademy of Sciences of the USSRUSSR

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