Ultrafast photodissociation dynamics of 1,4-diiodobenzene

Brian Stankus, Nikola Zotev, David M. Rogers, Yan Gao, Asami Odate, Adam Kirrander, Peter M. Weber

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

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 previous studies. 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.
Original languageEnglish
Article number194306
JournalThe Journal of Chemical Physics
Issue number19
Early online date21 May 2018
Publication statusE-pub ahead of print - 21 May 2018


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