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• W2032731460 startingPage "7121" @default.
• W2032731460 abstract "Accurate measurements of the magnitudes and relative orientations of chemical shielding, J coupling and dipolar coupling tensors for isolated homonuclear 31P−31P spin pairs, using standard 31P MAS NMR experiments in conjunction with efficient numerical simulation and iterative fitting procedures are described. For a series of transition-metal phosphine complexes (R3P)2MX2, containing pairs of crystallographically equivalent phosphorus atoms such that they constitute isolated magnetically nonequivalent 31P−31P spin-pair systems, it is demonstrated that the combined effects from MAS averaging, n = 0 rotational resonance dipolar recoupling, and J recoupling lead to 31P MAS NMR spectra with detailed structural features. These features are highly dependent on the tensorial interactions as well as on the applied external magnetic field strength and MAS frequency. The experimental observations are reproduced by numerically exact computer simulations. Iterative fitting of 31P MAS spectra, recorded under various experimental conditions, allows for determination of accurate parameters for the isotropic and anisotropic interactions characterizing the 31P−31P spin pair. In particular, we demonstrate that the orientation of the chemical shielding tensors relative to each other and relative to the internuclear axis can be determined with high accuracy." @default.
• W2032731460 created "2016-06-24" @default.
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• W2032731460 date "1997-07-01" @default.
• W2032731460 modified "2023-10-14" @default.
• W2032731460 title "Magnitudes and Relative Orientations of Chemical Shielding, Dipolar and <i>J</i> Coupling Tensors for Isolated ³¹P−³¹P Spin Pairs Determined by Iterative Fitting of ³¹P MAS NMR Spectra" @default.
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• W2032731460 doi "https://doi.org/10.1021/ja970890r" @default.
• W2032731460 hasPublicationYear "1997" @default.
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