Structures and 1H‐chemical shifts of conjugation deficient hydrocarbons

Vogler, Helmut

doi:10.1002/qua.560300110

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Structures and 1H‐chemical shifts of conjugation deficient hydrocarbons

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Vogler, Helmut
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Vogler, H. (1986). Structures and 1H‐chemical shifts of conjugation deficient hydrocarbons. International Journal of Quantum Chemistry, 30(1), 97-107. doi:10.1002/qua.560300110.

Cite as: https://hdl.handle.net/21.11116/0000-0006-9759-C

Abstract

The geometrical and electronic structures and the 1H‐chemical shifts of some conjugation deficient hydrocarbons and their benzenoid isomers 1–3 which consist of two concentric perimeters have been studied by means of semiempirical procedures. Conclusions on the importance of macrocyclic annulenoid conjugation are drawn from the bond lengths pattern and the proton shifts in these compounds.