Nuclear Magnetic Resonance Powder Patterns in the Presence of Completely Asymmetric Quadrupole and Chemical Shift Effects: Application to Metavanadates
Nuclear Magnetic Resonance Powder Patterns in the Presence of Completely Asymmetric Quadrupole and Chemical Shift Effects: Application to Metavanadates
复制标题
完全不对称四极杆和化学位移效应存在下的核磁共振粉末图案：在偏钒酸盐中的应用
DOI：
10.1063/1.1670988
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发表时间：
1969
影响因子：
4.4
通讯作者：
P. J. Bray
中科院分区：
文献类型：
--
作者：
J. F. Baugher;P. Taylor;T. Oja;P. J. Bray
在核四极和各向异性磁移相互作用下，开发了一种确定多晶核磁共振（NMR）粉末模式肩部和奇点位置的方法。这一测定是对具有半积分自旋1的核磁共振波谱的卫星和中心跃迁进行的。在四极和磁移相互作用的存在下，中心跃迁的粉末模式的典型理论行为在一系列例子中得到了展示。此外，设计了一个计算任意四极和磁移参数下粉末图案的计算机程序，将其与模拟偶极展宽影响的函数进行卷积，并对结果求导。用这些方法测定了三种偏氰酸盐化合物（NH4VO3、KVO3和NaVO3）的四极性和磁移参数。
A procedure was developed for the determination of the locations of shoulders and singularities of polycrystalline nuclear magnetic resonance (NMR) powder patterns in the presence of both nuclear quadrupole and anisotropic magnetic shift interactions. This determination was performed for both the satellites and the central transition of the NMR spectra of nuclei with half‐integral spin I. Typical theoretical behavior of the powder pattern for the central transition in the presence of both quadrupolar and magnetic shift interactions is shown in a series of examples. In addition, a computer program was devised which calculated the powder pattern for arbitrary quadrupolar and magnetic shift parameters, convoluted it with a function that simulates the effects of dipolar broadening, and took the derivative of the result. The quadrupolar and magnetic shift parameters in three metavanadate compounds (NH4VO3, KVO3, and NaVO3) are determined using these methods.