Model of Ultrafast Intersystem Crossing in Photoexcited Transition-Metal Organic Compounds

Journal Article · Thu Jul 01 04:00:00 EDT 2010 · Phys. Rev. Lett.

DOI:https://doi.org/10.1103/PhysRevLett.104.067401· OSTI ID:1002502

van Veenendaal, Michel; Chang, Jun; Fedro, A J ^[1]

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1. NIU

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. A 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.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: USDOE
• OSTI ID: 1002502
• Journal Information: Phys. Rev. Lett., Journal Name: Phys. Rev. Lett. Journal Issue: (6) ; 2010 Vol. 104; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
DAMPING
DECAY
L-S COUPLING
ORGANIC COMPOUNDS
OSCILLATIONS
PHONONS