Pileio Giuseppe
Department of Chemistry, University of Southampton, SO17 1BJ, UK.
Prog Nucl Magn Reson Spectrosc. 2017 Feb;98-99:1-19. doi: 10.1016/j.pnmrs.2016.11.002. Epub 2016 Dec 1.
This paper discusses methodology developed over the past 12years in order to access and manipulate singlet order in systems comprising two coupled spin-1/2 nuclei in liquid-state nuclear magnetic resonance. Pulse sequences that are valid for different regimes are discussed, and fully analytical proofs are given using different spin dynamics techniques that include product operator methods, the single transition operator formalism, and average Hamiltonian theory. Methods used to filter singlet order from byproducts of pulse sequences are also listed and discussed analytically. The theoretical maximum amplitudes of the transformations achieved by these techniques are reported, together with the results of numerical simulations performed using custom-built simulation code.
本文讨论了在过去12年中开发的方法，以便在液态核磁共振中包含两个耦合的自旋1/2核的系统中获取和操纵单重态序。讨论了适用于不同情况的脉冲序列，并使用包括乘积算符方法、单跃迁算符形式和平均哈密顿理论在内的不同自旋动力学技术给出了完整的分析证明。还列出了用于从脉冲序列的副产物中滤除单重态序的方法，并进行了分析讨论。报告了这些技术实现的变换的理论最大幅度，以及使用定制模拟代码进行的数值模拟结果。
