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The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the (13)C NMR chemical shifts in substituted benzenes
Effects of electron-donating (R = NH(2)) and electron-withdrawing (R = NO(2)) groups on (13)C NMR chemical shifts in R-substituted benzene are investigated by molecular orbital analyses. The (13)C shift substituent effect in ortho, meta, and para position is determined by the σ bonding orbitals in t...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5627350/ https://www.ncbi.nlm.nih.gov/pubmed/28989684 http://dx.doi.org/10.1039/c7sc02163a |