Characterization of monofluorinated polycyclic aromatic compounds by1H,13C and19F NMR spectroscopy
| Autor: | Jostein Krane, Jon Eigill Johansen, Udo A. Th. Brinkman, Gregor Luthe, Bjart Frode Lutnaes |
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| Rok vydání: | 2005 |
| Předmět: |
Fluoranthene
Carbon Isotopes Magnetic Resonance Spectroscopy Fluorine Compounds Molecular Conformation Fluorine General Chemistry Fluorine-19 NMR F number Nuclear magnetic resonance spectroscopy Carbon-13 NMR Medicinal chemistry Acenaphthylene chemistry.chemical_compound chemistry Proton NMR Organic chemistry Pyrene General Materials Science Polycyclic Aromatic Hydrocarbons Protons |
| Zdroj: | Magnetic Resonance in Chemistry. 43:588-594 |
| ISSN: | 1097-458X 0749-1581 |
| DOI: | 10.1002/mrc.1584 |
| Popis: | Monofluorinated polycyclic aromatic hydrocarbons (F-PAHs) have attracted much attention in analytical, environmental, toxicological and mechanistic studies because of their physico-chemical properties, which are closely similar to those of the parent PAHs. Because of this, full NMR characterization has become of interest. Complete 1H, 13C and 19F NMR chemical shifts, and also 1J(H,C), (n)J(C,F), (n)J(H,F) and (n)J(H,H) coupling constants, have been assigned for the F-PAHs 1-fluoronaphthalene, 2-fluorofluorene, 5-fluoroacenaphthylene, 2-fluorophenanthrene, 3-fluorophenanthrene, 3-fluorofluoranthene, 1-fluoropyrene, 1-fluorochrysene, 2-fluorochrysene, 3-fluorochrysene and 9-fluorobenzo[k]fluoranthene. To allow comparison with the corresponding parent PAHs, the 1H and 13C chemical shifts of acenaphthylene, phenanthrene, fluoranthene, pyrene and benzo[k]fluoranthene were determined. Chemical shift increments and the effects on the coupling constants from the fluorine substitution are discussed. |
| Databáze: | OpenAIRE |
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