液体多脉冲及二维FT-NMR实验的乘积算符描述的计算机模拟

波谱学杂志 ›› 1989, Vol. 6 ›› Issue (1): 53-64.

液体多脉冲及二维FT-NMR实验的乘积算符描述的计算机模拟

刘爱琢, 裴奉奎

中国科学院长春应用化学研究所

收稿日期:1987-11-30 修回日期:1988-03-11 出版日期:1989-03-05 发布日期:2018-01-22
基金资助:
中国科学院科学基金资助的课题

COMPUTER SIMULATION OF MULTIPLE-PULSE AND TWO-DIMENSIONAL FT NMR EXPERIMENTS IN LIQUID USING PRODUCT OPERATORS

Liu Aizhuo, Pei Fengkui

Changchun Institute of Applied Chemistry, Academia Sinica

Received:1987-11-30 Revised:1988-03-11 Online:1989-03-05 Published:2018-01-22

摘要/Abstract

摘要： 本文报道了利用乘积算符方法分析多脉冲及二维FT-NMR实验的模拟程序PROPER-MT.该程序对分析弱耦合I_mS_n(I=1/2;S=(1)/2;1 ≤ m十n<4)自旋体系实验脉冲序列是普遍适用的;它可给出实验过程中体系任何时刻算符的解析表达式.用PROPER-MT程序对一些典型的多脉冲及二维FT-NMR实验进行了模拟,特别对多量子滤波及多自旋滤波脉冲序列进行了分析计算,得到了预期的结果.

关键词: 多脉冲及二维NMR, 乘积算符, 计算机模拟, 多量子与多自旋滤波

Abstract: The simulation program PROPER-MT for analysis of multiple-pulse and two-dimensional FT NMR experiments using the algebra of product operators is reported. This program can give analytic expressions of operator state at any moment in experiment, so it is generally suitable for the analysis and hopefully helpful for design of the pulse sequences performed on ImSn (I=(1)/2. S=(1)/2; I ≤ m + n ≤ 4) spin systems with weakly scalar coupled spin-spin interactions. Some typical multiple-pulse and 2D FT NMR experiments, particularly; the multiple quantum filtration or/and multiple spin filtration techniques arc simulated with PROPER-MT program. The simulation results are in agreement with that expected.

Key words: Multiple-pulse and two-dimensional FT NMR, Product operator, Computer simulation, Multiple quantum filtration and multiple spin filtration

刘爱琢, 裴奉奎. 液体多脉冲及二维FT-NMR实验的乘积算符描述的计算机模拟[J]. 波谱学杂志, 1989, 6(1): 53-64.

Liu Aizhuo, Pei Fengkui. COMPUTER SIMULATION OF MULTIPLE-PULSE AND TWO-DIMENSIONAL FT NMR EXPERIMENTS IN LIQUID USING PRODUCT OPERATORS[J]. Chinese Journal of Magnetic Resonance, 1989, 6(1): 53-64.

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