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. Author manuscript; available in PMC: 2019 Jan 3.
Published in final edited form as: Nat Chem. 2018 Jul 30;10(9):953–960. doi: 10.1038/s41557-018-0080-1

Fig. 2 |. Comparison of geometry-optimized structures of allenes 13 and 14 (ωB97XD/6–31G(d)).

Fig. 2 |

a, The π orbitals of 13 are orthogonal and the compound has a linear geometry. b, Azacyclic allene 14 is bent and possesses an internal angle of 133° at the central allene carbon. For the geometryoptimized structure of compound 14, the CO2Me is omitted for clarity.