Abstract
AbstractCoherence between tunnel-split states of a methyl quantum rotor can be generated and observed in stimulated and spin-locked echo experiments, if hyperfine coupling of a nearby electron spin to the methyl protons breaks C$$_3$$
3
symmetry and is of the same order of magnitude as the tunnel splitting. Here, we consider the case of two methyl groups bound to the same sp$$^{3}$$
3
-hybridized atom, which is important in the context of common nitroxide spin labels. For a simple form of the rotor-rotor coupling Hamiltonian, we provide an approach that allows for density operator computations of this system with 1152 quantum states with moderate computational effort. We find that, in the regime where the ratio between rotor-rotor coupling and rotational barrier is much smaller than unity, three-pulse ESEEM and hyperfine-decoupled ESEEM depend only on the tunnel splitting, but not on this ratio. This finding may simplify the treatment of tunnel-induced electron decoherence in systems where the methyl groups are bound to sp$$^{3}$$
3
-hybridized atoms.
Funder
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
ETH Zurich
Publisher
Springer Science and Business Media LLC
Subject
Atomic and Molecular Physics, and Optics
Cited by
6 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献