Int. J. Mol. Sci. 2005, 6(1), 11-17; doi:10.3390/i6010011
Article

Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds

Department of Chemistry, Warsaw University, Pasteura 1, 02-093 Warszawa, Poland
Received: 15 June 2004; in revised form: 25 January 2005 / Accepted: 26 January 2005 / Published: 31 January 2005
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Abstract: It is shown that the 13C-NMR chemical shifts of carbon atoms in substituted sixmembered heteroaromatic compounds correlate with the correponding "additivity parameters" for substituted benzene derivatives. Thus, for precalculation of chemical shifts in such compounds, just one set of parameters can be used. The differences between experimental chemical shifts and those calculated from correlation with the common set may provide insights into intramolecular interactions not reported in the literature.
Keywords: 13C-NMR; substituent polar effects; pyridines; pyrazines; pyrimidines

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MDPI and ACS Style

Oszczapowicz, J. Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds. Int. J. Mol. Sci. 2005, 6, 11-17.

AMA Style

Oszczapowicz J. Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds. International Journal of Molecular Sciences. 2005; 6(1):11-17.

Chicago/Turabian Style

Oszczapowicz, Janusz. 2005. "Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds." Int. J. Mol. Sci. 6, no. 1: 11-17.

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