Paper
Ultrafast photodissociation dynamics of 1,4-diiodobenzene.
Published May 21, 2018 · DOI · Brian Stankus, Nikola Zotev, D. Rogers
The Journal of chemical physics
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Abstract
The photodissociation dynamics of 1,4-diiodobenzene is investigated using ultrafast time-resolved photoelectron spectroscopy. Following excitation by laser pulses at 271 nm, the excited-state dynamics is probed by resonance-enhanced multiphoton ionization with 405 nm probe pulses. A progression of Rydberg states, which come into resonance sequentially, provide a fingerprint of the dissociation dynamics of the molecule. The initial excitation decays with a lifetime of 33 ± 4 fs, in good agreement with a previous study. The spectrum is interpreted by reference to ab initio calculations at the CASPT2(18,14) level, including spin-orbit coupling. We propose that both the 5B1 and 6B1 states are excited initially, and based on the calculations, we identify diabatic spin-orbit coupled states corresponding to the main dissociation pathways.
Ultrafast photodissociation dynamics of 1,4-diiodobenzene reveal that both 5B1 and 6B1 states are excited initially, with diabatic spin-orbit coupled states being the main dissociation pathways.
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