This work was supported by the Deutsche Forschungsgemeinschaft, the Fonds der Chemischen Industrie, and the Alexander von Humboldt Foundation (a special award to J. A. Pople). We thank Prof. A. Maercker, Siegen, for informing us of his work prior to publication and Prof. K. N. Houk, Los Angeles, for his interest.
1,2-Dilithioethylene Isomers and Their Mechanisms of Interconversion: an Ab Initio Study†
Article first published online: 22 DEC 2003
Copyright © 1986 by VCH Verlagsgesellschaft mbH, Germany
Angewandte Chemie International Edition in English
Volume 25, Issue 2, pages 169–170, February 1986
How to Cite
Schleyer, P. v. R., Kaufmann, E., Kos, A. J., Clark, T. and Pople, J. A. (1986), 1,2-Dilithioethylene Isomers and Their Mechanisms of Interconversion: an Ab Initio Study. Angew. Chem. Int. Ed. Engl., 25: 169–170. doi: 10.1002/anie.198601691
- Issue published online: 22 DEC 2003
- Article first published online: 22 DEC 2003
- Manuscript Revised: 9 DEC 1985
- Manuscript Received: 2 OCT 1985
The unusual structures of polylithium compounds are of interest to both exprimental and theoretical chemists. Ab initio MO calculations have now shown that for 1,2-dilithioethylene the twisted trans isomer 1 is most stable. The nonplanar cis isomer 2 is somewhat less stable. The inversion of a CH group is the favored mechanism for the cis-trans interconversion.