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首页> 外文期刊>Solid State Nuclear Magnetic Resonance >31{sup left}P double-quantum solid-state NMR study of phosphoroorganic compounds with (O)P-O-P-(O), (S)P-O-P(S) and (S)P-S-P(O) unit
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31{sup left}P double-quantum solid-state NMR study of phosphoroorganic compounds with (O)P-O-P-(O), (S)P-O-P(S) and (S)P-S-P(O) unit

机译:具有(O)P-O-P-(O),(S)P-O-P(S)和(S)P-S-P(O)单元的磷有机化合物的31 {sup left} P双量子固态NMR研究

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摘要

In this work we have tested applicability of the commonly used double quantum recoupling sequence POST-C7 to study of 31{sup left}p-31{sup left}p geometrical constraints for phosphoroorganic model compounds with different chemical shift anisotropy (CSA) and distinct molecular dynamics in the crystal lattice. Our results clearly show that even with large CSA, POST-C7 gives good efficiency of 31{sup left}P double-quantum excitations. Moreover, large amplitude molecular motion only slightly disturb 31{sup left}P build-up curve. X{sup}2 error analysis is used for verification of values and orientations of chemical shift tensors (CST) parameters employed for simulation of POST-C7 buildup curves.
机译:在这项工作中,我们测试了常用的双量子重耦合序列POST-C7在研究具有不同化学位移各向异性(CSA)和不同化学性质的磷有机化合物的31 {sup left} p-31 {sup left} p几何约束时的适用性晶格中的分子动力学。我们的结果清楚地表明,即使具有较大的CSA,POST-C7也能提供31 {P}的双量子激发的良好效率。而且,大振幅分子运动仅轻微干扰31 P的累积曲线。 X {sup} 2误差分析用于验证用于模拟POST-C7累积曲线的化学位移张量(CST)参数的值和方向。

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