## Abstract Raman scattering (RS) is described by a classical model for molecular electronic and nuclear subsystems coupled by one of the simplest cubic non‐linear couplings. The corresponding system of classical non‐linear equations for the motion of electrons and nuclei of a molecule in an electr
A comparison of classical and quantum-mechanical ‘ring-current’ theories
✍ Scribed by P. I. Rose
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 239 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
The proton resonance spectra of a series of 2,7‐disubstituted‐4,5‐bis(2‐pyridyl)phenanthrene‐3,6‐diols are examined with emphasis on the shielding effects produced by aromatic ‘ring currents.’ In this series, two pyridine rings are rigidly held less than 3.4 Å apart and with considerable overlap. The ‘ringcurrent’ shieldings found for above‐the‐plane positions are in good agreement with the Johnson‐Bovey theory, whereas a recently proposed quantum‐mechanical theory underestimates the shieldings by a factor of nearly three.
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