R Guillemin, L Inhester, M Ilchen, T Mazza, R Boll, Th Weber, S Eckart, P Grychtol, N Rennhack, T Marchenko, N Velasquez, O Travnikova, I Ismail, J Niskanen, E Kukk, F Trinter, M Gisselbrecht, R Feifel, G Sansone, D Rolles, M Martins, M Meyer, M Simon, R Santra, T Pfeifer, T Jahnke, M N Piancastelli
{"title":"Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser.","authors":"R Guillemin, L Inhester, M Ilchen, T Mazza, R Boll, Th Weber, S Eckart, P Grychtol, N Rennhack, T Marchenko, N Velasquez, O Travnikova, I Ismail, J Niskanen, E Kukk, F Trinter, M Gisselbrecht, R Feifel, G Sansone, D Rolles, M Martins, M Meyer, M Simon, R Santra, T Pfeifer, T Jahnke, M N Piancastelli","doi":"10.1063/4.0000197","DOIUrl":null,"url":null,"abstract":"<p><p>Dynamical response of water exposed to x-rays is of utmost importance in a wealth of science areas. We exposed isolated water isotopologues to short x-ray pulses from a free-electron laser and detected momenta of all produced ions in coincidence. By combining experimental results and theoretical modeling, we identify significant structural dynamics with characteristic isotope effects in H<sub>2</sub>O<sup>2+</sup>, D<sub>2</sub>O<sup>2+</sup>, and HDO<sup>2+</sup>, such as asymmetric bond elongation and bond-angle opening, leading to two-body or three-body fragmentation on a timescale of a few femtoseconds. A method to disentangle the sequences of events taking place upon the consecutive absorption of two x-ray photons is described. The obtained deep look into structural properties and dynamics of dissociating water isotopologues provides essential insights into the underlying mechanisms.</p>","PeriodicalId":74877,"journal":{"name":"","volume":"10 5","pages":"054302"},"PeriodicalIF":0.0,"publicationDate":"2023-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10550338/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1063/4.0000197","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2023/9/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Dynamical response of water exposed to x-rays is of utmost importance in a wealth of science areas. We exposed isolated water isotopologues to short x-ray pulses from a free-electron laser and detected momenta of all produced ions in coincidence. By combining experimental results and theoretical modeling, we identify significant structural dynamics with characteristic isotope effects in H2O2+, D2O2+, and HDO2+, such as asymmetric bond elongation and bond-angle opening, leading to two-body or three-body fragmentation on a timescale of a few femtoseconds. A method to disentangle the sequences of events taking place upon the consecutive absorption of two x-ray photons is described. The obtained deep look into structural properties and dynamics of dissociating water isotopologues provides essential insights into the underlying mechanisms.