AM1 molecular orbital calculations of the ring-expansion of cyclopropylidenecarbene 4 and the dehydrogenation of cyclobutene show that this process affords an orbital isomer 1 of cyclobutyne that is the global minimum and reacts in opposition to orbital symmetry predictions.
M. J. S. Dewar, J. C. Gilbert and S. Kirschner, J. Chem. Soc., Chem. Commun., 1994, 1105 DOI: 10.1039/C39940001105
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