Predicted signs of reduced two-bond spin-spin coupling constants (2hKX-Y) across X-H-Y hydrogen bonds
Copyright 2004 John Wiley & Sons, Ltd.
| Publié dans: | Magnetic resonance in chemistry : MRC. - 1985. - 42(2004), 5 vom: 20. Mai, Seite 421-3 |
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| Format: | Article |
| Langue: | English |
| Publié: |
2004
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| Accès à la collection: | Magnetic resonance in chemistry : MRC |
| Sujets: | Comparative Study Evaluation Study Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Spin Labels Hydrogen 7YNJ3PO35Z |
| Résumé: | Copyright 2004 John Wiley & Sons, Ltd. The reduced two-bond Fermi-contact terms and the reduced spin-spin coupling constants (2h)K(X-Y) across X-H-Y hydrogen bonds for complexes stabilized by C-H-N, N-H-N, O-H-N, F-H-N, C-H-O, O-H-O, F-H-O and C-H-F hydrogen bonds are positive. The NMR Triplet Wavefunction Model (NMRTWM) indicates that the signs of the reduced FC terms and (2h)K(X-Y) are determined by excited triplet states that have an odd number of nodes intersecting the X-Y axis between X and Y, thereby leading to an antiparallel alignment of the nuclear magnetic moments of atoms X and Y |
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| Description: | Date Completed 15.03.2005 Date Revised 10.12.2019 published: Print Citation Status MEDLINE |
| ISSN: | 1097-458X |