Calculation of 1H chemical shifts of [n]annuleno[m]annulenes and 
[n]annulenyl[m]annulenes

Vogler, Helmut

doi:10.1002/mrc.1270120512

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Calculation of 1H chemical shifts of [n]annuleno[m]annulenes and [n]annulenyl[m]annulenes

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

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引用

Vogler, H. (1979). Calculation of 1H chemical shifts of [n]annuleno[m]annulenes and [n]annulenyl[m]annulenes. Organic magnetic resonance, 12(5), 306-312. doi:10.1002/mrc.1270120512.

引用: https://hdl.handle.net/21.11116/0000-0003-B46A-B

要旨

The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annulenes and [n]annulenyl[m]annulenes with n, m = 12, 14, 18 and n, m = 13, 15 are calculated. The agreement between experimental and calculated shifts for the few known compounds is very good so that the predictions for the as yet unknown compounds are reliable. The effect of an annulene ring on the shifts of the protons at the other ring in these bicyclic compounds is discussed for several types of fusion of the two constituent annulenes.