异核多量子相关实验:从经典向量、非经典向量和乘积算子的视角

K. Vega-Hernández, M. Antuch
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引用次数: 0

摘要

人们通常认为,大多数二维核磁共振实验不能用经典模型来处理。讲师认为,对于涉及多量子相干的实验,如异核多量子相关(HMQC)技术,积算符(PO)或密度矩阵形式化是了解复杂自旋演化的唯一选择。尽管如此,近年来已经有一些文章以PO形式主义为出发点,对HMQC进行了向量描述。在这项工作中,我们以Bloch矢量模型的基本元素作为构建块,提供了HMQC实验的图形表示。这种描述对脉冲序列中的自旋演化有直观和舒适的理解,对于那些在2D-NMR中是新手的人来说。最后,这种经典的向量描述是针对PO形式主义和非经典向量进行测试的,传达了从不同角度阐明单一现象的教学优势。这种比较方法可以为高等本科和研究生教育引入PO和非经典向量。
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The Heteronuclear Multiple-Quantum Correlation Experiment: Perspective from Classical Vectors, Nonclassical Vectors, and Product Operators
It is usually accepted that most 2D-NMR experiments cannot be approached using classical models. Instructors argue that Product Operators (PO) or density matrix formalisms are the only alternative to get insights into complex spin evolution for experiments involving Multiple-Quantum Coherence, such as the Heteronuclear Multiple-Quantum Correlation (HMQC) technique. Nevertheless, in recent years, several contributions have been published to provide vectorial descriptions for the HMQC taking PO formalism as the starting point. In this work we provide a graphical representation of the HMQC experiment, taking the basic elements of Bloch’s vector model as building blocks. This description bears an intuitive and comfortable understanding of spin evolution during the pulse sequence, for those who are novice in 2D-NMR. Finally, this classical vectorial depiction is tested against the PO formalism and nonclassical vectors, conveying the didactic advantage of shedding light on a single phenomenon from different perspectives. This comparative approach could be useful to introduce PO and nonclassical vectors for advanced upper-division undergraduate and graduate education.
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