Multiple Quantum NMR Dynamics in Pseudopure States

TL;DR

This paper numerically studies multiple quantum NMR dynamics in pseudopure states of dipolar-coupled nuclear spins, revealing faster multi-spin correlations and potential for experimental investigation of many-spin dynamics in solids.

Contribution

It introduces numerical analysis of MQ NMR in pseudopure states with real molecular structures, highlighting faster correlation development and experimental relevance.

Findings

Multiple-spin correlations develop faster in pseudopure MQ NMR.

Simulations include realistic molecular structures like benzene and hydroxyapatite.

Results suggest new avenues for experimental study of many-spin dynamics.

Abstract

We investigate numerically the Multiple Quantum (MQ) NMR dynamics in systems of nuclear spins 1/2 coupled by the dipole-dipole interactions in the case of the pseudopure initial state. Simulations of the MQ NMR with the real molecular structures such as six dipolar-coupled proton spins of a benzene, hydroxyl proton chains in calcium hydroxyapatite and fluorine chains in calcium fluorapatite open the way to experimental NMR testing of the obtained results. It was found that multiple-spin correlations are created faster in such experiments than in the usual MQ NMR experiments and can be used for the investigation of many-spin dynamics of nuclear spins in solids