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- W2010038861 abstract "Abstract The 60 Mc/s NMR spectra of phenanthrene and its 1-, 2-, 3-, 4- and 9-methyl-, 1,8-, 2,7-, 3,6-, 4,5- and 9,10-dimethyl-, 1-methyl-7-isopropyl-, 2-, 3- and 9-ethyl-, 9,10-diethyl-, 9-methyl-10-ethyl-, and 9-n-propyl-, 9-isopropyl-, 9-isobutyl-, 9- t -butyl-, 9- t -pentyl, 9- cyclo -pentyl-, and 9-deutero- derivatives have been recorded and analysed firstly as ABX or ABMX systems. Values of chemical shifts and coupling constants were then refined by computing as ABC or ABCD. Couplings between aromatic protons on both adjacent and non-adjacent rings have been observed and, along with the different dilution shifts exhibited by certain protons, used to assign some chemical shifts. Ortho coupling constants are apparently related to the π-order of the intervening CC bond, while benzylic couplings may be conveniently interpreted in terms of simple MO theory. The ring-current effect appears to be the dominant influence on chemical shifts of H(1), H(2), H(3) and H(9) in phenanthrene, and of the methyl protons in all methyl phenanthrenes; bond anisotropy, rather than changes in the π-electron distribution or van der Waals effects, may cause significant shifts for H(4, 5) of phenanthrene and for protons opposed by a methyl group in methylphenanthrenes. Shifts of H(5), H(8), and H(10) in 9-alkylphenanthrenes depend critically on the number of carbon atoms substituted on the carbon α to the ring. There is no apparent isotope shift of H(8) in 9-phenanthrene- d ." @default.
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- W2010038861 date "1967-06-01" @default.
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- W2010038861 title "High-resolution nuclear magnetic resonance spectra of phenanthrenes—I Phenanthrene and some alkyl derivatives" @default.
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