Effects of Substituents on NMR Chemical Shifts and Mass Fragmentation Patterns of 1-Aryl-3-phenylpropanes
| Autor: | In-Sook Han Lee, Eun Jeong Jeong |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Hydrogen
010405 organic chemistry Aryl Chemical shift chemistry.chemical_element General Chemistry Electron 010402 general chemistry Photochemistry 01 natural sciences Spectral line 0104 chemical sciences chemistry.chemical_compound Crystallography chemistry Fragmentation (mass spectrometry) Mass spectrum Electronic effect |
| Zdroj: | Bulletin of the Korean Chemical Society. 37:538-543 |
| ISSN: | 1229-5949 |
| DOI: | 10.1002/bkcs.10720 |
| Popis: | The 1H and 13C chemical shifts and the mass spectral fragmentation patterns of 1-aryl-3-phenylpropanes with m- or p-substituents (H, NO2 , Br, Cl, OCH3 , CH3 ) were studied. The electronic effects of the substituents seemed to be transmitted by the through-space as well as by a through-bond mechanism, resulting in an inverse correlation in the plot of the chemical shift values of i-C vs. the Hammett σ values. The mass spectra showed the substituted benzyl fragments as the base peaks when the substituents were electron donating, whereas the benzyl fragment was observed as the base peaks with the electron-withdrawing substituents. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|