Different Photodissociation Mechanisms in Fe(CO)<sub>5</sub> and Cr(CO)<sub>6</sub> Evidenced with Femtosecond Valence Photoelectron Spectroscopy and Excited-State Molecular Dynamics Simulations.
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ABSTRACT: Measured and calculated time-resolved photoelectron spectra and excited-state molecular dynamics simulations of photoexcited gas-phase molecules Fe(CO)5 and Cr(CO)6 are presented. Samples were excited with 266 nm pump pulses and probed with 23 eV photons from a femtosecond high-order harmonic generation source. Photoelectron intensities are seen to blue-shift as a function of time from binding energies characteristic of bound electronic excited states via dissociated-state energies toward the energies of the dissociated species for both Fe(CO)5 and Cr(CO)6, but differences are apparent. The excited-state and dissociation dynamics are found to be faster in Cr(CO)6 because the repopulation from bound excited to dissociative excited state
SUBMITTER: Schroder H
PROVIDER: S-EPMC11613650 | biostudies-literature | 2024 Nov
REPOSITORIES: biostudies-literature
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