Quantum Chemical Systematization of the PMR Spectra of Some N-(Pyridyl)-pyrrole Derivatives

P. Dvortsák, G. Náray-Szabó, L. Vasvári-Debreczy

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)784-787
Number of pages4
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Volume30
Issue number9-10
DOIs
Publication statusPublished - Oct 1 1975

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Pyrroles
Chemical shift
Derivatives
Charge distribution
Protons
Carbon

Keywords

  • N -(Pyridyl)-pyrroles
  • PMR Spectra
  • Quantum Chemistry

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Quantum Chemical Systematization of the PMR Spectra of Some N-(Pyridyl)-pyrrole Derivatives. / Dvortsák, P.; Náray-Szabó, G.; Vasvári-Debreczy, L.

In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, Vol. 30, No. 9-10, 01.10.1975, p. 784-787.

Research output: Contribution to journalArticle

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