Effective Floquet Hamiltonians for dipolar and quadrupolar coupled N-spin systems in solid state nuclear magnetic resonance under magic angle spinning

Abstract

Spin dynamics under magic angle spinning has been studied using different theoretical approaches and also by extensive numerical simulation programs. In this article we present a general theoretical approach that leads to analytic forms for effective Hamiltonians for an N-spin dipolar and quadrupolar coupled system under magic angle spinning (MAS) conditions, using a combination of Floquet theory and van Vleck (contact) transformation. The analytic forms presented are shown to be useful for the study of MAS spin dynamics in solids with the help of a number of simulations in two, three, and four coupled, spin-1/2 systems as well as spins in which quadrupolar interactions are also present.