Analytic treatment of nuclear spin-lattice relaxation for diffusion in a cone model

TL;DR

This paper demonstrates that nuclear spin-lattice relaxation in a cone model can be fully described analytically, challenging the belief that no such expressions exist, and explores various orientations of the cone relative to magnetic fields.

Contribution

It provides the first complete analytical solution for relaxation in the cone model, including arbitrary orientations and specific cases like powders and liquid crystals.

Findings

Analytical expressions for correlation functions in the cone model are derived.

The BPP-Solomon scheme remains valid for systems with certain cone axis distributions.

Relaxation rate dependence on cone width aligns with the model-free approach.

Abstract

We consider nuclear spin-lattice relaxation rate resulted from a diffusion equation for rotational wobbling in a cone. We show that the widespread point of view that there are no analytical expressions for correlation functions for wobbling in a cone model is invalid and prove that nuclear spin-lattice relaxation in this model is exactly tractable and amenable to full analytical description. The mechanism of relaxation is assumed to be due to dipole-dipole interaction of nuclear spins and is treated within the framework of the standard Bloemberger, Purcell, Pound - Solomon scheme. We consider the general case of arbitrary orientation of the cone axis relative the magnetic field. The BPP-Solomon scheme is shown to remain valid for systems with the distribution of the cone axes depending only on the tilt relative the magnetic field but otherwise being isotropic. We consider the case of random isotropic orientation of cone axes relative the magnetic field taking place in powders. Also we consider the cases of their predominant orientation along or opposite the magnetic field and that of their predominant orientation transverse to the magnetic field which may be relevant for, e.g., liquid crystals. Besides we treat in details the model case of the cone axis directed along the magnetic field. The latter provides direct comparison of the limiting case of our formulas with the textbook formulas for free isotropic rotational diffusion. The dependence of the spin-lattice relaxation rate on the cone half-width yields results similar to those predicted by the model-free approach.