A 31P dynamic NMR study of the bond shift rearragement in solid Li3P7

摘要: Phosphorus-31 NMR measurements are reported on solid Li3P7(monoglyme)3 in the temperature range −90 to +70 °C, under both, nonspinning and magic angle spinning (MAS) conditions. At low temperatures (<−30 °C) spectra correspond a static situation, exhibiting superposition of three subspectra due apical, equatorial, basal phosphorus atoms P7-cage. Analysis these provided information principal values chemical shift tensors various P their respective axis systems. Their orientations molecular frame were obtained from quantum mechanical calculations. In −30 °C exhibit dynamic effects, which at high result line shape corresponding single average axially symmetric tensor. This is interpreted terms bond rearrangement similar Cope process bullvalene. results yields approximate kinetic parameters for ...