31P Chemical Shielding Anisotropy in Solids. Single Crystal and Powder Studies at 99.4 MHz

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Abstract
Free induction decays of a single crystal of P4S3 and powders of Zn3P2, Mg3P2, and P4S10 are studied at 99.4 MHz. The P4S3 molecule is found to have two 31P chemical shielding tensors, one for the single apical phosphorus and one for the three phosphorus atoms of the basal triangle in the molecule. The tensors are more or less symmetric and the eigenvectors for the unique elements are found to be colinear within experimental error, thus suggesting that there is rapid motion about the C3 axis of the molecule. A comparison with theoretical spectra bears this out. The general character of the spectra agrees with the crystal structure of the compound found by x‐ray analysis and the isotropic shielding values agree with a previous spinning‐sample study. 31P powder patterns for Zn3P2 and Mg3P2 yield chemical shielding parameters and the spectra appear to disagree with previous pulsed and spinning‐sample experiments on these compounds. The spectrum of P4S10 indicates rapid molecular motion at room temperature. The possibility of low‐temperature and liquid experiments is discussed.

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