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Published September 15, 1982 | public
Journal Article Open

Determination of dipole coupling constants using heteronuclear multiple quantum NMR


The problem of extracting dipole couplings from a system of N spins I = 1/2 and one spin S by NMR techniques is analyzed. The resolution attainable using a variety of single quantum methods is reviewed. The theory of heteronuclear multiple quantum (HMQ) NMR is developed, with particular emphasis being placed on the superior resolution available in HMQ spectra. Several novel pulse sequences are introduced, including a two-step method for the excitation of HMQ coherence. Experiments on partially oriented [1−13C] benzene demonstrate the excitation of the necessary HMQ coherence and illustrate the calculation of relative line intensities. Spectra of high order HMQ coherence under several different effective Hamiltonians achievable by multiple pulse sequences are discussed. A new effective Hamiltonian, scalar heteronuclear recoupled interactions by multiple pulse (SHRIMP), achieved by the simultaneous irradiation of both spin species with the same multiple pulse sequence, is introduced. Experiments are described which allow heteronuclear couplings to be correlated with an S-spin spreading parameter in spectra free of inhomogeneous broadening.

Additional Information

Copyright © 1982 American Institute of Physics. (Received 5 April 1982; accepted 27 April 1982) The authors gratefully acknowledge the assistance of Jim Murdoch and Steven Sinton in the computer simulations and of Dione Carmichael in the preparation of this manuscript. This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Materials Sciences Division of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098. Erratum: Determination of dipole coupling constants using heteronuclear multiple quantum NMR [J. Chem. Phys. 77, 2870 (1982)] D. P. Weitekamp et al. J. Chem. Phys. 80, 1372 (1984).


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