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中国物理学会期刊

自旋置换对称体系多脉冲及二维核磁共振实验的密度算符描述(Ⅱ)——多量子积算符方法

CSTR: 32037.14.aps.39.154-2

DENSITY OPERATOR FORMALISM FOR SPIN SYSTEMS WITH PERMUTATION SYMMETRY IN MULTIPLE PULSE AND 2D NMR EXPERIMENTS (Ⅱ)——MULTIPLE QUANTUM PRODUCT OPERATOR FORMALISM

CSTR: 32037.14.aps.39.154-2
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  • 在对称化乘积算符(简称SAPO)方法基础上提出了多量子积算符(简称MQCPO)方法。改进的密度算符理论对InS(I=1/2,S=1/2;n为任意正整数)自旋体系多脉冲及二维核磁共振实验的描述普遍适用。MQCPO与SAPO从不同角度反映了自旋体系的对称性,故它们之间存在简单线性关系。文中给出In(I=1/2,n=2,3)自旋体系MQCPO的SAPO表示。MQCPO有利于自由演化过程的描述,而脉冲作用的描述则是SAPO为佳;利用MQCPO与SAPO的线性关系及SAPO笛卡儿分量的坐标轮换性质,“z”表象下脉冲作用的描述变得简单而直观。对异核谱剪辑及自旋拓扑滤波(spin topology filtration)等实验脉冲序列的分析,该方法是方便的。

     

    Based on the Symmetry-Adapted Product Operator (SPO), the Moltiple Quantum Coherence Product Operator (MQCPO) formalism is introduced in this paper. The modified density operator theory is universal for the description of modern multiple pulse and two-dimensional NMR experiments performed on InS(I = 1/2, 5 = 1/2; n = an arbitray integer number) spin systems. In fact, MQCPO is a Hermitian combination of irredusible tensor operators for a compsite particle, and reveals symmetry properties of the spin system in a different aspect from SAPO. There exist simple linear relations between MQCPO and SAPO for In(I = 1/2, n = 2,3) spin systems, the SAPO forms of MQCPO are listed as a usual example. MQCPO shows a simple cyclic commutation relationship with the free procession Hamiltonian, but not with the Hamiltonian of a pulse effect. Therefore, MQCPO is convenient for description of evolution period. Using the linear relations between MQCPO and SAPO, as well as the permutation properties for the coordinate indices of Cartesian components in a SAPO, the description of a pulse action tarns out to be easy and direct under the "z"-representation. Analyses of the pulse sequences for heteronuclear spectra editing and spin topology filtration have shown the power of this formalism.

     

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