Fast Intersystem Crossing in Transition-Metal Complexes

Details Fast Intersystem Crossing in Transition-Metal Complexes Fast Intersystem Crossing in Transition-Metal Complexes

2010-02-07

arxiv.org/abs/1002.1467v1

Phys. Rev. Lett. 104, 067401 (2010).

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 3 figures, accepted for publication in Phys.Rev.Lett

Scientific paper

10.1103/PhysRevLett.104.067401

The mechanism behind fast intersystem crossing in transition-metal complexes is shown to be a result of the dephasing of the photoexcited state to the phonon continuum of a different state with a significantly different transition metal-ligand distance. The coupling is a result of the spin-orbit interaction causing a change in the local moment. Recurrence to the initial state is prevented by the damping of the phonon oscillation. The decay time is faster than the oscillation frequency of the transition metal-ligand stretch mode, in agreement with experiment. For energies above the region where the strongest coupling occurs, a slower "leakage-type" decay is observed. If the photoexcited state is lower in energy than the state it couples to, then there is no decay.

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