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涉及固体中四极核的INEPT实验。

INEPT experiments involving quadrupolar nuclei in solids.

作者信息

Kao HM, Grey CP

机构信息

Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York, 11794-3400, USA.

出版信息

J Magn Reson. 1998 Aug;133(2):313-23. doi: 10.1006/jmre.1998.1455.

Abstract

Coherence transfer from quadrupolar 27Al (I = 52) nuclei to 31P (I = 12) via INEPT experiments is investigated. 27Al --> 31P INEPT experiments on a (CH3)3P-AlCl3 complex in zeolite NaX are performed, and the results demonstrate that the 31P INEPT signals strongly depend on whether or not the 27Al pulses are applied synchronously with the rotor period, and on the length of the 27Al pulses. A density-matrix calculation involving the use of the spin operators for spin 32 and 12 nuclei has been performed to help understand the evolution behavior of the density matrix under the influence of the quadrupolar interaction, the dipolar and J-couplings, and the pulse lengths applied to the quadrupolar nuclei. The theoretical predictions obtained from these calculations are consistent with the INEPT experimental observations. Copyright 1998 Academic Press.

摘要

研究了通过INEPT实验将四极27Al(I = 5/2)核的相干转移至31P(I = 1/2)核。在沸石NaX中的(CH3)3P-AlCl3配合物上进行了27Al→31P的INEPT实验,结果表明31P的INEPT信号强烈依赖于27Al脉冲是否与转子周期同步施加,以及27Al脉冲的长度。进行了涉及使用自旋1/2和3/2核的自旋算符的密度矩阵计算,以帮助理解在四极相互作用、偶极和J耦合以及施加到四极核的脉冲长度的影响下密度矩阵的演化行为。从这些计算中获得的理论预测与INEPT实验观察结果一致。版权所有1998年学术出版社。

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