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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus

IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

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Volume 21, Issue 5


Methyl Substitution Effects on the Proton Chemical Shifts in Benzene

G. S. Reddy
  • E. I. du Pont de Nemours & Company, Inc. Explosives Department, Eastern Laboratory, Gibbstown, New Jersey, U.S.A.
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Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1966-0518

Methyl substitution effects on aromatic and methyl proton chemical shifts in several mono-, di-, and trimethyl benzenes are studied. A new method for obtaining the changes in the ring proton chemical shifts from those of methyl proton shifts at the corresponding positions is used. The extra π-electron densities in toluene are calculated using the already known relation between the π-electron densities and the proton shifts in aromatic systems. An inverse relationship is obtained between the ionization potentials and the total methyl effects on the chemical shifts in this series of compounds as one would expect. Dipole moment of toluene is calculated, and a reasonably good agreement is found between the experimentally observed and the calculated dipole moment.

About the article

Received: 1965-12-16

Published Online: 2014-06-02

Published in Print: 1966-05-01

Citation Information: Zeitschrift für Naturforschung A, Volume 21, Issue 5, Pages 609–615, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1966-0518.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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