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Russian Chemical Bulletin

, Volume 43, Issue 1, pp 47–49 | Cite as

Matrix IR spectra and quantum chemical studies of the reaction between difluorostannylene and hept-1-yne. The first direct observation of a carbene analog π-complex with alkne

  • S. E. Boganov
  • V. I. Faustov
  • M. P. Egorov
  • O. M. Nefedov
Physical Chemistry

Abstract

IR studies of SnF2 and hept-1-yne codeposited in an argon matrix at 12 K has revealed new bands at 540, 565, 1011, 2088 and 3256 cm−1, assigned to the formation of a complex between SnF2 and the alkyne. Quantum chemical AM1 and PM3 calculations confirm this assignment to the π-complex of SnF2 and the triple bond of hept-1-yne, and show that the complex forms without an activation barrier. The energy of the formation of the complex according to AM1 and PM3 calculations is 7.4 and 9.1 kcal/mol, respectively. The calculations indicate that the product of the cycloaddition of SnF2 to a triple bond, stannyrene, is significantly less stable than the π-complex.

Key words

π-complex difluorostannylene hept-1-yne matrix IR spectra AM1 PM3 

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Copyright information

© Plenum Publishing Corporation 1994

Authors and Affiliations

  • S. E. Boganov
    • 1
  • V. I. Faustov
    • 1
  • M. P. Egorov
    • 1
  • O. M. Nefedov
    • 1
  1. 1.N. D. Zelinsky Institute of Organic ChemistryRussian Academy of SciencesMoscowRussian Federation

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