In the case of a number of N-(pyridyl)-pyrrole derivatives a linear relation was found between the PMR chemical shifts of the olefmic and aromatic protons and the adjacent carbon net charges. The Charge distribution was obtained as a sum of σ- and π-parts, calculated by the Del Re and PPP methods, respectively. Steric effects were treated on the basis of chemical shift anomalies.
|Number of pages||4|
|Journal||Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences|
|Publication status||Published - Oct 1 1975|
- N -(Pyridyl)-pyrroles
- PMR Spectra
- Quantum Chemistry
ASJC Scopus subject areas