Kastrup Christian J, Oldfield Steven P, Rzepa Henry S
Department of Chemistry, Imperial College, London, UK SW7 2AY.
Chem Commun (Camb). 2002 Mar 21(6):642-3. doi: 10.1039/b110626k.
Two types of annulene which may show significant Möbius aromatic character and bond and twist delocalisation are proposed; triplet states with 4n + 2 occupancy of the p pi array of atomic orbitals and a novel 8-pi carbeno[8]heteroannulene ring system 1 where the Hückel highly antiaromatic nature as a planar system can be attenuated or even reversed by the C2 symmetric Möbius distortion.
提出了两种可能表现出显著莫比乌斯芳香性以及键和扭转离域的轮烯;一种是具有4n + 2个原子轨道pπ电子占据的三重态,另一种是新型的8-π碳烯并[8]杂轮烯环系1,其中作为平面体系的休克尔高度反芳香性可通过C2对称的莫比乌斯扭曲得到减弱甚至反转。