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Nuclear magnetic double-resonance spectrum of a strongly coupled two-spin system

Nageswara Rao, B. D. and Baldeschwieler, J. D. and Anderson, J. M. (1965) Nuclear magnetic double-resonance spectrum of a strongly coupled two-spin system. Physical Review, 137 (5A). A1477-A1482. ISSN 0031-899X. http://resolver.caltech.edu/CaltechAUTHORS:NAGpr65b

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Abstract

The density-matrix theory of double resonance is applied for a detailed analysis of the frequency-sweep nuclear magnetic double-resonance spectra of the strongly coupled two-proton system in 2-bromo-5-chlorothiophene under various conditions of irradiation. These spectra show significant relaxation and coherence effects. The results of the theory are very sensitive to the relaxation mechanisms assumed for the system, indicating the possibility of deriving significant information about the relaxation of the system by this method. Comparison of the observed and theoretical double-resonance spectra shows that the proton relaxation in this molecule is due, in large measure, to external interactions with a high degree of correlation between the interactions with the two protons. An approximation proposed by Bloch for simplifying the calculations is found to be applicable even when the irradiation frequency is close to some single-resonance transition frequencies.


Item Type:Article
Additional Information:©1965 The American Physical Society. Received 2 October 1964. The financial support of the National Science Foundation, the National Institutes of Health under Grant GM 12241 (B.D. Nageswara Rao) and the Petroleum Research Fund, administered by the American Chemical Society (J.M. Anderson) is gratefully acknowledged. The computations were performed on the IBM 7094 computer at the Massachusetts Institute of Technology, Cambridge 39, Massachusetts, the IBM 1620 computer at Bryn Mawr-Haverford College Computation Center, Haverford, Pennsylvania, and the IBM 1620 computer at the Department of Chemistry, Harvard University, Cambridge 38, Massachusetts. [J.D.B. was an] Alfred P. Sloan Foundation Fellow.
Issue or Number:5A
Record Number:CaltechAUTHORS:NAGpr65b
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:NAGpr65b
Alternative URL:http://dx.doi.org/10.1103/PhysRev.137.A1477
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9791
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:17 Mar 2008
Last Modified:26 Dec 2012 09:52

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