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首页> 美国政府科技报告 >31p MAS-NMR of Crystalline Phosphorous Sulfides. Correlation of 31P Chemical Shielding Tensors with Local Environments
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31p MAS-NMR of Crystalline Phosphorous Sulfides. Correlation of 31P Chemical Shielding Tensors with Local Environments

机译：结晶磷硫化物的31p mas-NmR。 31p化学屏蔽张量与局域环境的相关性

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31P MAS NMR is used to characterize local phosphorus environments in -P4S3, P4S7, P4S9, and P4S10. MAS-NMR spectra of P4S3 enable a chemical shift discrimination of the apical P atoms belonging to the two crystallographically distinct molecules in the unit cell. No line narrowing is observed for the basal P-atoms, indicating reorientation of the molecules about their C3 axes, as previously suggested from neutron diffraction data. MAS-NMR spectra of P4S7 show distinct resonances for all four crystallographically inequivalent P atoms within the molecular P4S7 units. Since, due to these site inequivalencies, spin-spin couplings are observable (contrary to liquid state NMR), chemical shift assignments to P-P bonded units and S = PS3/2 groups are possible. The spectra of P4S9 and P4S10 disagree with earlier literature reports, and are subject to a reinterpretation in the present study. Analyses of spinning sideband intensities yield the principal shielding tensor components, which are correlated with crystallographic data.

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