Loading...
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...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer-Verlag
2011
|
| Fag: | |
| Online adgang: | 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 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|