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Interpretation of NMR Spectra. I. A2BXxand A2BKkSpectra

机译:Interpretation of NMR Spectra. I. A2BXxand A2BKkSpectra

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摘要

Difficulties encountered in analyzing NMR spectra are greatly multiplied as the number of interacting nuclei increases. The concept ofeffective internal chemical shiftsoreffective Larmor frequenciesis developed here to simplify the study of complex NMR spectra in which a group of magnetically equivalent nuclei (Xx) is greatly shifted from a strongly coupled group. This concept permits decomposition of a complex NMR spectrum into two or more simpler groups of transitions called subspectra. These subspectra are then analyzed by previously developed methods. It is proved that this decomposition is independent of the nature of the strongly coupled group.A discussion is given of the change in appearance of spectra as the shift of the Xxgroup from the strongly coupled group is decreased and small deviations from the ``X'' approximation appear. The Xxgroup is relabeled Kk(x=k) when such deviations appear. The form of this breakdown depends only onx(ork) and is given for generalx(ork). Explicit expressions for the A2BXxsystem are tabulated. Detailed analyses are presented for the following series of A2BXxor A2BKkspectra: 2,6hyphen;dichlorofluorobenzene (A2BX); 1hyphen;chlorominus;2,3hyphen;butadiene (A2BX2or A2BK2); methylallene (A2BX3or A2BK3).

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