Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones

Correlations of AM1 and PM3 theoretical data, (13)C-NMR substituent chemical shifts ((13)C-SCS) and IR carbonyl group wave numbers [ν(C(3)═O)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C(7) atom a reverse substituent effect attributed to...

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Detalles Bibliográficos
Autores principales: Fadhil, Ghazwan F., Radhy, Hanan A., Perjéssy, Alexander, Šamalíková, Mária, Kolehmainen, Erkki, Fabian, Walter M.F., Laihia, Katri, Šusteková, Zora
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2002
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6146466/
http://dx.doi.org/10.3390/71100833

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6146466/
http://dx.doi.org/10.3390/71100833

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