Singlet and triplet states of C2–carbenes in a proton rearrangement

  • E. Dilmukhambetov Institute of combustion problems of al–Farabi Kazakh national university 050012, Almaty, Bogenbai Batyr, 172
  • C. Tusupbaev Institute of combustion problems of al–Farabi Kazakh national university 050012, Almaty, Bogenbai Batyr, 172
  • S. Kazakbaev Institute of combustion problems of al–Farabi Kazakh national university 050012, Almaty, Bogenbai Batyr, 172

Abstract

The effect of singlet–triplet splitting in C2–carbenes on the intermolecular proton rearrangement with minimum activation energies was stated by quantum chemical calculations. It is shown that energy barriers of the proton rearrangement by 1→2 shift mechanism correspond to intersections of potential surfaces of singlet states for vinylidene singlet and the nearest triplet states for ethylidene.

References

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Published
2011-03-30
How to Cite
Dilmukhambetov, E., Tusupbaev, C., & Kazakbaev, S. (2011). Singlet and triplet states of C2–carbenes in a proton rearrangement. Chemical Bulletin of Kazakh National University, 61(1), 183-188. Retrieved from https://chemistry.kz/bulletin/index.php/kaznu/article/view/885