A SIMPLE EVALUATION OF THE PARAMAGNETIC PART OF THE PROTON MAGNETIC SHIELDING CONSTANT$^{\ast}$
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Date
1962
Authors
Chan, Sunney I.
Das, T. P.
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
It will be shown that when the origin of the magnetic vector potential is chosen at the electronic centroid of a molecule, it is possible to evaluate a major portion of the paramagnetic part of the proton magnetic shielding constant from a knowledge of the dipole moment, bond distances, and bond angles alone. This formulation has been applied to the molecules $H_{2}, HF, HCl, HBr, HI, LiH, HCN, C_{2}H_{2}, CH_{4}$, and $NH_{2}$. Good agreement is obtained when the results are compared with available data from molecular beam experiments. Application of this method to the evaluation of the paramagnetic part of the magnetic shielding constants of the alkali metals in the alkali halides will also be discussed.
Description
$^{\ast}$This research was partially supported by the National Science Foundation.
Author Institution: Departments of Chemistry and Physics, University of California
Author Institution: Departments of Chemistry and Physics, University of California