Singlet NMR methodology in two-spin-1/2 systems

Abstract

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.

Keywords: Field-cycling; M2S; SLIC; Singlet order; Singlet order filtration; Singlet states; Singlet-locking.