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| Home > Publications database > Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS$_2$ Probed at the S 2p Edge |
| Home > Publications database > Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS$_2$ Probed at the S 2p Edge |
| Journal Article | PUBDB-2023-05122 |
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2023
ACS
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.jpclett.3c01447 doi:10.3204/PUBDB-2023-05122
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.
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