X-Ray crystal and ab initio structure of 3-ethynylcyclopropene: a curiously short carbon–carbon double bond

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Kim K. Baldridge, Bluegrass Biggs, Robert D. Gilbertson, Michael M. Haley, Dieter Bläser, Roland Boese, Andreas H. Maulitz and Jay S. Siegel


Abstract

The X-ray crystal structure of 3-ethynylcyclopropene shows that the carbon–carbon double bond of the molecule is unusually short [1.255(2) Å], whereas theoretical calculations suggest a relative insensitivity of the bond length to adjacent orbital interactions.


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