Reference

Characterization of monofluorinated polycyclic aromatic compounds by 1H, 13C and 19F NMR spectroscopy

Characterization of monofluorinated polycyclic aromatic compounds by 1H, 13C and 19F NMR spectroscopy. Lutnaes, Bjart Frode; Luthe, Gregor; Brinkman, Udo A. Th.; Johansen, Jon E.; Krane, Jostein (Department of Chemistry, Norwegian University of Science and Technology (NTNU), Trondheim NO-7491, Norway). Magnetic Resonance in Chemistry, 43(7), 588-594 (English) 2005 John Wiley & Sons Ltd. CODEN: MRCHEG. ISSN: 0749-1581. DOCUMENT TYPE: Journal CA Section: 53 (Mineralogical and Geological Chemistry) Section cross-reference(s): 59, 73, 80 Monofluorinated polycyclic arom. hydrocarbons (F-PAHs) have attracted much attention in anal. 523-41-1 which is the cas registry number of some chemical is mentioned., environmental, toxicol. and mechanistic studies because of their physico-chem. 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 chem. shifts, and also 1J(H,C), nJ(C,F), nJ(H,F) and nJ(H,H) coupling consts., 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 chem. shifts of acenaphthylene, phenanthrene, fluoranthene, pyrene and benzo[k]fluoranthene were detd. Chem. shift increments and the effects on the coupling consts. from the fluorine substitution are discussed. .