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• W4385514160 abstract "Recent developments in X-ray free-electron lasers have enabled a novel site-selective probe of coupled nuclear and electronic dynamics in photoexcited molecules, time-resolved X-ray photoelectron spectroscopy (TRXPS). We present results from a joint experimental and theoretical TRXPS study of the well-characterized ultraviolet photodissociation of CS2, a prototypical system for understanding non-adiabatic dynamics. These results demonstrate that the sulfur 2p binding energy is sensitive to changes in the nuclear structure following photoexcitation, which ultimately leads to dissociation into CS and S photoproducts. We are able to assign the main X-ray spectroscopic features to the CS and S products via comparison to a first-principles determination of the TRXPS based on ab initio multiple-spawning simulations. Our results demonstrate the use of TRXPS as a local probe of complex ultrafast photodissociation dynamics involving multimodal vibrational coupling, nonradiative transitions between electronic states, and multiple final product channels." @default.
• W4385514160 created "2023-08-04" @default.
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• W4385514160 date "2023-08-03" @default.
• W4385514160 modified "2023-10-18" @default.
• W4385514160 title "Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS₂ Probed at the S 2p Edge" @default.
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• W4385514160 doi "https://doi.org/10.1021/acs.jpclett.3c01447" @default.
• W4385514160 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37534743" @default.
• W4385514160 hasPublicationYear "2023" @default.
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