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.
点击下载:
PDF (321KB)
返 回