Theoretical estimates for proton-NMR spin–lattice relaxation rates of heterometallic spin rings

Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr₇ wheels in terms of a simple isotropic Heisenberg Hamiltonian for M=Fe, Ni, Cu, and Zn and find in that FeCr₇ needs to be described with an iron–chromium exchange that is different from all other cases. In a second step we model the behavior of the proton spin lattice relaxation rate as a function of applied magnetic field for low temperatures as it is measured in nuclear magnetic resonance (NMR) experiments. It appears that CuCr₇ and NiCr₇ show an unexpectedly reduced relaxation rate at certain level crossings.