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Proton magnetic resonance of planar condensed benzenoid hydrocarbons

 

作者: C.W. Haigh,   R.B. Mallion,  

 

期刊: Molecular Physics  (Taylor Available online 1970)
卷期: Volume 18, issue 6  

页码: 767-772

 

ISSN:0026-8976

 

年代: 1970

 

DOI:10.1080/00268977000100821

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The method of McWeeny for estimating magnetic effects due toπelectrons in condensed, benzenoid hydrocarbons is applied to calculate the 97 distinct ‘ring currents’, and sigma ratios (H′/H′benzene) for the 219 chemically-non-equivalent protons in the 21 planar hexacyclic benzenoid hydrocarbons which have been synthesized. Trends in the ‘ring currents’ and sigma ratios are discussed; the ‘ring currents’ are useful for culculating diamagnetic anisotropies, and the sigma ratios can be converted to calculated chemical shifts by use of a previously established empirical equation. These shifts are expected to be of use in assigning signals in the experimental high-resolution P.M.R. spectra of these molecules.

 

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