Spinning Sidebands in Slow-Magic-Angle-Spinning NMR Spectra Arising from TightlyJ-Coupled Spin Pairs |
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Authors: | Gang Wu Boqin Sun Roderick E Wasylishen Robert G Griffin |
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Institution: | aDepartment of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada, B3H 4J3;bFrancis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts, 02139 |
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Abstract: | Complex spinning sidebands are observed in magic-angle-spinning (MAS) NMR spectra arising from isolated tightlyJ-coupled spin pairs under slow spinning conditions. Such spinning sidebands are sensitive to the magnitude and relative orientation of the chemical-shift tensors, the dipolar-coupling tensor, and the sign of the indirect spin–spin (J) coupling. We show that it is possible to extract information concerning such NMR parameters from an analysis of the observed spinning sidebands. As an example, numerical simulations are carried out to reproduce observed31P MAS NMR spectra of a phosphole tetramer (1) ando-bis(diphenylphosphino)benzene (2), so that invaluable information concerning the orientations of the phosphorus chemical-shift tensors and the sign ofJ(31P,31P) can be deduced. Simulations are carried out by numerically evaluating the spin-density matrix of the spin system. |
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