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Additional info for Conformational Analysis: Scope and Present Limitations
Even more troublesome is the observation that the location of the signal corresponding to the equatorial hydrogen is not always found to be systematically the same in sequence with respect to the location of the signal due to the axial counterpart. This directly influences the relative signs of Δ1 and J I I , and of course this results in completely different values for Ke when applying equation (1). As a general procedure we always calculate the Ke sets for all possible combinations. If two AB systems are visible, this results in sixteen possible combinations when the A parts cannot be definitively assigned to the respective Β parts.
P. Groth, Acta Chem. Scand. D. Dunitz and A. Mugnoli, Chem. Comm. D. B. V. Egmond and C. Romers, Tetrahedron 25, 2693 (1969). G. D. MacNicol, W . A. A. Zabkiewicz, Chem. Comm. 103 (1968). M. St. D. Thesis, University of California, Los Angeles, 1967. L. Anet, Abstract of papers presented at the Twentieth National Organic Chemistry Symposium of the American Chemical Society, Burlington, Vermont, June 1967. L. S. Hartman, J. Am. Chem. Soc. 85, 1204 (1963). M. L. Anet, unpublished work. D. C. Costain, J.
Chemical shifts of 4 and 5 protons. The major specie has the proton in the 4 position. Future applications of nmr to conformational problems will undoubtedly make increasing use of high-frequency (superconducting solenoid) spectrometers and of 1 3 C magnetic resonance. W e hope to apply these tools in the near future to obtain additional information on some of the problems mentioned in this lecture, as well as on other conformational problems. ACKNOWLEDGMENTS W e are grateful to the National Science Foundation for financial support.