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Quantum Statistical Corrections to Dynamic Nuclear Magnetic Resonance

Mueller, Leonard J. and Weitekamp, Daniel P. (1999) Quantum Statistical Corrections to Dynamic Nuclear Magnetic Resonance. Science, 283 (5398). pp. 61-65. ISSN 0036-8075. https://resolver.caltech.edu/CaltechAUTHORS:20141125-082827667

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Abstract

A quantum statistical treatment of the chemical exchange between molecular eigenstates or conformations revealed previously unsuspected dynamic terms in the spin Hamiltonian operator that describes fast exchange. These terms resulted from the effect of nuclear spin on rotational and vibrational relaxation. With the traditional theory, an interpretation of new carbon-13 nuclear magnetic resonance measurements of the chemical shift of methylcyclohexane in solution showed fast-exchange equilibrium constants that were inconsistent with the slow-exchange free-energy difference and were spread over a range of 30 percent for the various carbon-13 positions. Modeling of the new terms indicated that they have the correct magnitude and temperature dependence to reconcile these inconsistencies.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1126/science.283.5398.61DOIArticle
http://www.sciencemag.org/content/283/5398/61PublisherArticle
Additional Information:© 1999 American Association for the Advancement of Science. Received 30 April 1998; accepted 16 November 1998. This work was supported by NSF (grant CHE-9005964). L.J.M. acknowledges an NSF Graduate Fellowship and a Department of Defense National Defense Science and Engineering Graduate Fellowship.
Funders:
Funding AgencyGrant Number
NSFCHE-9005964
NSF Graduate FellowshipUNSPECIFIED
National Defense Science and Engineering Graduate (NDSEG) FellowshipUNSPECIFIED
Issue or Number:5398
Record Number:CaltechAUTHORS:20141125-082827667
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20141125-082827667
Official Citation:Quantum Statistical Corrections to Dynamic Nuclear Magnetic Resonance Leonard J. Mueller and Daniel P. Weitekamp Science 1 January 1999: 283 (5398), 61-65. [DOI:10.1126/science.283.5398.61]
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:52123
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:25 Nov 2014 20:43
Last Modified:03 Oct 2019 07:39

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