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Complete assignment and additivity rule for ^1^H and ^13^C chemical shifts of non‐planar, nonacyclic aromatic hydrocarbons by Toyotoshi Ueda; Satoshi Iwashima; Junji Aoki; Minoru Takekawa is a Chemistry article available to read on EtoBox.

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## Abstract Complete assignments of ^1^H and ^13^C NMR spectra were made for heptacyclic peropyrene and five isomers of dibenzoperopyrenes, using 2D correlation spectroscopic techniques of homonuclear HH‐COSY and NOESY and heteronuclear CH‐COSY and HMBC methods. New additivity rules of ^1^H and ^13^C chemical shift values were established for compounds having two types of benzene ring condensation. All ^1^H chemical shifts were satisfactorily interpreted by a very simple magnetic point dipole model. This model includes net contributions from each constituent benzene ring due to the ring current anisotropy and permits some ring planes to deviate from the mean molecular plane. The conjugated ring currents are consistent with the chemical shifts. Thus, the aromatic properties are normal even if the molecular skeleton is considerably deformed and becomes non‐planar.

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Author

Toyotoshi Ueda; Satoshi Iwashima; Junji Aoki; Minoru Takekawa

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; John Wiley and Sons Ltd; Wiley (ISSN 0749-1581)

Published

1995

Language

EN

Field

Chemistry (Physical Sciences)