Abstract
Coulomb explosion of diiodomethane CH2I2 molecules irradiated by ultrashort and intense X-ray pulses from SACLA, the Japanese X-ray free electron laser facility, was investigated by multi-ion coincidence measurements and self-consistent charge density-functional-based tight-binding (SCC-DFTB) simulations. The diiodomethane molecule, containing two heavy-atom X-ray absorbing sites, exhibits a rather different charge generation and nuclear motion dynamics compared to iodomethane CH3I with only a single heavy atom, as studied earlier. We focus on charge creation and distribution in CH2I2 in comparison to CH3I. The release of kinetic energy into atomic ion fragments is also studied by comparing SCC-DFTB simulations with the experiment. Compared to earlier simulations, several key enhancements are made, such as the introduction of a bond axis recoil model, where vibrational energy generated during charge creation processes induces only bond stretching or shrinking. We also propose an analytical Coulomb energy partition model to extract the essential mechanism of Coulomb explosion of molecules from the computed and the experimentally measured kinetic energies of fragment atomic ions by partitioning each pair Coulomb interaction energ...Continue Reading
References
Aug 30, 2000·Nature·R NeutzeJ Hajdu
Jun 26, 2003·Journal of the American Chemical Society·Yukio SatoYuichi Fujimura
Jun 15, 2007·The Journal of Physical Chemistry. a·B AradiTh Frauenheim
Jul 3, 2010·Nature·L YoungM Messerschmidt
Sep 28, 2010·Physical Review Letters·M HoenerN Berrah
Feb 5, 2011·Nature·M Marvin SeibertJanos Hajdu
Mar 3, 2011·The Review of Scientific Instruments·Kensuke TonoTetsuya Ishikawa
May 1, 2012·Physical Review Letters·H ThomasT Ditmire
May 9, 2012·The Journal of Chemical Physics·Naoyuki NiitsuKatsunori Nakai
Jun 29, 2012·Nature·N D LohM J Bogan
Sep 26, 2012·Physical Review Letters·T GorkhoverC Bostedt
Oct 23, 2012·Physical Review Letters·Yuichi InubushiMakina Yabashi
Dec 4, 2012·Journal of Chemical Theory and Computation·Michael GausMarcus Elstner
Feb 19, 2013·Physical Review Letters·B ErkA Rudenko
May 18, 2013·Physical Review Letters·H FukuzawaK Ueda
Jan 8, 2014·Nature Communications·Takashi KimuraYoshinori Nishino
Oct 3, 2014·The Journal of Chemical Physics·Kaoru YamazakiHirohiko Kono
Dec 5, 2014·Nature·R MankowskyA Cavalleri
Feb 20, 2015·Nature·Kyung Hwan KimShin-ichi Adachi
Apr 4, 2015·Nature·Ph WernetA Föhlisch
Jun 17, 2015·Scientific Reports·T TachibanaK Ueda
Aug 13, 2015·The Journal of Physical Chemistry Letters·Koji MotomuraKiyoshi Ueda
Aug 28, 2015·Nature·Hitoki YonedaMakina Yabashi
Sep 12, 2015·Science·Thomas R M BarendsIlme Schlichting
Jul 9, 2013·Journal of Chemical Theory and Computation·Tomáš KubařMarcus Elstner
Oct 8, 2016·Physical Review Letters·E MatsubaraN Yamada
Nov 1, 2016·Faraday Discussions·K NagayaK Ueda
Citations
Aug 23, 2019·Physical Chemistry Chemical Physics : PCCP·Daehyun YouKiyoshi Ueda
Jan 3, 2020·The Journal of Chemical Physics·Andrey YachmenevJochen Küpper
Oct 7, 2020·International Journal of Radiation Biology·Roger W Howell
Jun 16, 2018·Physical Review Letters·Yoshiaki KumagaiKiyoshi Ueda
May 18, 2019·Nature Communications·Hironobu FukuzawaKiyoshi Ueda
Jan 29, 2020·Scientific Reports·M WallnerR Feifel
Apr 20, 2021·Physical Chemistry Chemical Physics : PCCP·Alberto GuandaliniCarlo Andrea Rozzi
Mar 7, 2019·The Journal of Physical Chemistry Letters·Itamar LuzonDaniel Strasser
Sep 21, 2021·Physical Chemistry Chemical Physics : PCCP·Lassi PihlavaEdwin Kukk