Determination of Molecular Torsion Angles Using Nuclear Singlet Relaxation | Zendy

Michael C. D. Tayler | Zendy; Sabrina Marie | Zendy; A. Ganesan | Zendy; Malcolm H. Levitt | Zendy

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Determination of Molecular Torsion Angles Using Nuclear Singlet Relaxation

Author(s) -

Michael C. D. Tayler,

Sabrina Marie,

A. Ganesan,

Malcolm H. Levitt

Publication year - 2010

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/ja1012917

Subject(s) - chemistry , singlet state , isotropy , relaxation (psychology) , methylene , torsion (gastropod) , nuclear magnetic resonance , magnetization , computational chemistry , atomic physics , magnetic field , organic chemistry , optics , quantum mechanics , physics , medicine , psychology , social psychology , surgery , excited state

The exponential relaxation time constant, T(S), of a nuclear singlet state is influenced by the proximity of neighboring NMR-active nuclei. For methylene groups in particular this dependence is much stronger than the case for other NMR relaxation constants, including the "conventional" relaxation time constant, T(1), of the longitudinal magnetization. This sensitivity provides a new route for determining torsional angles plus other molecular structural details in the isotropic solution phase.

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