Abstract:
1H and 13C NMR spectra of several substituted carbazoles (Series 1, 2, 3, 4 and 5) were measured. Substituent chemical shifts (SCS's) and Lynch correlations of 1H and 13C nuclei were calculated and the substituent effect on the NMR phenomena was determined. Atomic charge densities for carbazoles of Series 1, 2, 3, 4 and 5 were calculated by using the semi empirical PM3 method. These values also show a linear correlation with the 13C chemical shifts.
Registro:
Documento: |
Artículo
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Título: | A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles |
Autor: | Bonesi, S.M.; Ponce, M.A.; Erra-Balsells, R. |
Filiación: | Departamento de Química Orgánica, Universidad de Buenos Aires, Ciudad Universitaria, 1428, Buenos Aires, Argentina
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Palabras clave: | carbazole derivative; article; atom; calculation; carbon nuclear magnetic resonance; chemical structure; correlation analysis; proton nuclear magnetic resonance |
Año: | 2005
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Volumen: | 42
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Número: | 5
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Página de inicio: | 867
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Página de fin: | 875
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DOI: |
http://dx.doi.org/10.1002/jhet.5570420519 |
Título revista: | Journal of Heterocyclic Chemistry
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Título revista abreviado: | J. Heterocycl. Chem.
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ISSN: | 0022152X
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CODEN: | JHTCA
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0022152X_v42_n5_p867_Bonesi |
Referencias:
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Citas:
---------- APA ----------
Bonesi, S.M., Ponce, M.A. & Erra-Balsells, R.
(2005)
. A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles. Journal of Heterocyclic Chemistry, 42(5), 867-875.
http://dx.doi.org/10.1002/jhet.5570420519---------- CHICAGO ----------
Bonesi, S.M., Ponce, M.A., Erra-Balsells, R.
"A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles"
. Journal of Heterocyclic Chemistry 42, no. 5
(2005) : 867-875.
http://dx.doi.org/10.1002/jhet.5570420519---------- MLA ----------
Bonesi, S.M., Ponce, M.A., Erra-Balsells, R.
"A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles"
. Journal of Heterocyclic Chemistry, vol. 42, no. 5, 2005, pp. 867-875.
http://dx.doi.org/10.1002/jhet.5570420519---------- VANCOUVER ----------
Bonesi, S.M., Ponce, M.A., Erra-Balsells, R. A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles. J. Heterocycl. Chem. 2005;42(5):867-875.
http://dx.doi.org/10.1002/jhet.5570420519