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Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes
Two intramolecular interactions, i.e., (1) hydrogen bond and (2) substituent effect, were analyzed and compared. For this purpose, the geometry of 4- and 5-X-substituted salicylaldehyde derivatives (X = NO(2), H or OH) was optimized by means of B3LYP/6-311 + G(d,p) and MP2/aug-cc-pVDZ methods. The r...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer-Verlag
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3249548/ https://ncbi.nlm.nih.gov/pubmed/21523547 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-011-1044-1 |
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