Complete analysis of the high-resolution proton coupled carbon-13 NMR spectra of toluene
作者： M Hansen , H.J Jakobsen
DOI: 10.1016/0022-2364(75)90009-8
关键词: Chemistry 、 Fourier transform 、 Toluene 、 Coupling constant 、 Analytical chemistry 、 Kinetic isotope effect 、 NMR spectra database 、 Spectral line 、 Carbon-13 NMR 、 Chemical shift
摘要: Abstract High-resolution, 25.16 MHz, proton coupled 13 C Fourier transform NMR spectra of the natural abundant C-toluenes have been obtained and completely analyzed. Signs accurate magnitudes all possible C 1 H coupling constants in toluene as well chemical shift differences, including long-range isotope shifts, could be determined from analysis these complex spectra. The unperturbed relative shifts containing only 12 carbons effects on calculated latter data. Finally, signs are discussed with respect to H couplings other model compounds. Special attention has paid δ-π exchange polarization mechanism for π-electron couplings.
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sci-hub.se 参考文章(28)
Michael Barfield, Bireswar Chakrabarti, Valence-bond studies of contact nuclear spin-spin coupling. III. .pi.-Electron coupling in aromatic and cyclic unsaturated hydrocarbons Journal of the American Chemical Society. ,vol. 91, pp. 4346- 4352 ,(1969) , 10.1021/JA01044A004
R. Wasylishen, T. Schaefer, INDO Molecular Orbital Calculations on the Conformational Dependence of Long-range Spin–Spin Coupling of Methyl Protons in Toluene, p-Fluorotoluene, and the Xylenes Canadian Journal of Chemistry. ,vol. 50, pp. 1852- 1862 ,(1972) , 10.1139/V72-297
Frank J. Weigert, John D. Roberts, Nuclear magnetic resonance spectroscopy. Benzene-13C. Journal of the American Chemical Society. ,vol. 89, pp. 2967- 2969 ,(1967) , 10.1021/JA00988A029
A. R. Tarpley, J. H. Goldstein, High-resolution carbon-13 nuclear magnetic resonance spectra and substituent effects for monohalobenzenes The Journal of Physical Chemistry. ,vol. 76, pp. 515- 525 ,(1972) , 10.1021/J100648A012
J. Brian Rowbotham, T. Schaefer, Methyl–Methyl Proton Spin–Spin Coupling Constants in Some Six-membered Ring Compounds. A Test for Delocalization in Borazine Canadian Journal of Chemistry. ,vol. 52, pp. 489- 496 ,(1974) , 10.1139/V74-078
Michael J. S. Dewar, Robert C. Fahey, Long-Range Coupling in the Nuclear Magnetic Resonance Spectra of Acenaphthene Derivatives Journal of the American Chemical Society. ,vol. 85, pp. 2704- 2708 ,(1963) , 10.1021/JA00901A005
Aksel A. Bothner-By, C. Naar-Colin, The Proton Magnetic Resonance Spectra of Olefins. I. Propene, Butene-1 and Hexene-1 Journal of the American Chemical Society. ,vol. 83, pp. 231- 236 ,(1961) , 10.1021/JA01462A045
Kikuko Hayamizu, Osamu Yamamoto, The analysis of the proton magnetic resonance spectra of monosubstituted benzenes Journal of Molecular Spectroscopy. ,vol. 29, pp. 183- 193 ,(1969) , 10.1016/0022-2852(69)90098-8
Anna L. Segre, Lucia Zetta, Antonio Di Corato, A conformational study of butadiene and of its homologues by NMR spectroscopy Journal of Molecular Spectroscopy. ,vol. 32, pp. 296- 308 ,(1969) , 10.1016/0022-2852(69)90224-0
M Hansen, H.J Jakobsen, High-resolution 13C NMR spectra and long-range 13C1H spin coupling constants in pyridine and 2-bromopyridine Journal of Magnetic Resonance. ,vol. 10, pp. 74- 84 ,(1973) , 10.1016/0022-2364(73)90237-0