TY  - JOUR
AU  - Gabalski, Ian
AU  - Allum, Felix
AU  - Seidu, Issaka
AU  - Britton, Mathew
AU  - Brenner, Guenter
AU  - Bromberger, Hubertus
AU  - Brouard, Mark
AU  - Bucksbaum, Philip
AU  - Burt, Michael
AU  - Cryan, James
AU  - Driver, Taran
AU  - Ekanayake, Nagitha
AU  - Erk, Benjamin
AU  - Garg, Diksha
AU  - Gougoula, Eva
AU  - Heathcote, David
AU  - Hockett, Paul
AU  - Holland, David
AU  - Howard, Andrew
AU  - Kumar, Sonu
AU  - Lee, Jason Wai Lung
AU  - Li, Siqi
AU  - McManus, Joseph
AU  - Mikosch, Jochen
AU  - Milesevic, Dennis
AU  - Minns, Russell
AU  - Neville, Simon
AU  - Atia-Tul-Noor
AU  - Papadopoulou, Christina
AU  - Passow, Christopher
AU  - Razmus, Weronika
AU  - Roeder, Anja
AU  - Rouzee, Arnaud
AU  - Pinto Simao, Alcides
AU  - Unwin, James
AU  - Vallance, Claire
AU  - Walmsley, Tiffany
AU  - Wang, Jun
AU  - Rolles, Daniel
AU  - Stolow, Albert
AU  - Schuurman, Michael
AU  - Forbes, Ruaridh
TI  - Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS<sub>2</sub> Probed at the S 2p Edge
JO  - The journal of physical chemistry letters
VL  - 14
IS  - 31
SN  - 1948-7185
CY  - Washington, DC
PB  - ACS
M1  - PUBDB-2023-05122
SP  - 7126 - 7133
PY  - 2023
AB  - 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. 
LB  - PUB:(DE-HGF)16
C6  - 37534743
UR  - <Go to ISI:>//WOS:001042105300001
DO  - DOI:10.1021/acs.jpclett.3c01447
UR  - https://bib-pubdb1.desy.de/record/589257
ER  -