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Title: Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene

The fragmentation dynamics of 2,6- and 3,5-difluoroiodobenzene after iodine 4d inner-shell photoionization with soft X-rays are studied using coincident electron and ion momentum imaging. By analyzing the momentum correlation between iodine and fluorine cations in three-fold ion coincidence events, we can distinguish the two isomers experimentally. Classical Coulomb explosion simulations are in overall agreement with the experimentally determined fragment ion kinetic energies and momentum correlations and point toward different fragmentation mechanisms and time scales. Finally, while most three-body fragmentation channels show clear evidence for sequential fragmentation on a time scale larger than the rotational period of the fragments, the breakup into iodine and fluorine cations and a third charged co-fragment appears to occur within several hundred femtoseconds.
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ; ORCiD logo [2] ;  [5] ;  [6] ; ORCiD logo [7] ;  [4] ;  [3] ; ORCiD logo [4]
  1. Kansas State Univ., Manhattan, KS (United States). J.R. Macdonald Lab.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  3. Univ. of Connecticut, Storrs, CT (United States). Dept. of Physics
  4. Kansas State Univ., Manhattan, KS (United States). J.R. Macdonald Lab.
  5. Univ. of Oxford (United Kingdom). Dept. of Chemistry
  6. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  7. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Publication Date:
Grant/Contract Number:
AC02-76SF00515; FG02-86ER13491; SC0012376; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 19; Journal Issue: 21; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1369402
Alternate Identifier(s):
OSTI ID: 1458495

Ablikim, Utuq, Bomme, Cédric, Savelyev, Evgeny, Xiong, Hui, Kushawaha, Rajesh, Boll, Rebecca, Amini, Kasra, Osipov, Timur, Kilcoyne, David, Rudenko, Artem, Berrah, Nora, and Rolles, Daniel. Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene. United States: N. p., Web. doi:10.1039/c7cp01379e.
Ablikim, Utuq, Bomme, Cédric, Savelyev, Evgeny, Xiong, Hui, Kushawaha, Rajesh, Boll, Rebecca, Amini, Kasra, Osipov, Timur, Kilcoyne, David, Rudenko, Artem, Berrah, Nora, & Rolles, Daniel. Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene. United States. doi:10.1039/c7cp01379e.
Ablikim, Utuq, Bomme, Cédric, Savelyev, Evgeny, Xiong, Hui, Kushawaha, Rajesh, Boll, Rebecca, Amini, Kasra, Osipov, Timur, Kilcoyne, David, Rudenko, Artem, Berrah, Nora, and Rolles, Daniel. 2017. "Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene". United States. doi:10.1039/c7cp01379e. https://www.osti.gov/servlets/purl/1369402.
@article{osti_1369402,
title = {Isomer-dependent fragmentation dynamics of inner-shell photoionized difluoroiodobenzene},
author = {Ablikim, Utuq and Bomme, Cédric and Savelyev, Evgeny and Xiong, Hui and Kushawaha, Rajesh and Boll, Rebecca and Amini, Kasra and Osipov, Timur and Kilcoyne, David and Rudenko, Artem and Berrah, Nora and Rolles, Daniel},
abstractNote = {The fragmentation dynamics of 2,6- and 3,5-difluoroiodobenzene after iodine 4d inner-shell photoionization with soft X-rays are studied using coincident electron and ion momentum imaging. By analyzing the momentum correlation between iodine and fluorine cations in three-fold ion coincidence events, we can distinguish the two isomers experimentally. Classical Coulomb explosion simulations are in overall agreement with the experimentally determined fragment ion kinetic energies and momentum correlations and point toward different fragmentation mechanisms and time scales. Finally, while most three-body fragmentation channels show clear evidence for sequential fragmentation on a time scale larger than the rotational period of the fragments, the breakup into iodine and fluorine cations and a third charged co-fragment appears to occur within several hundred femtoseconds.},
doi = {10.1039/c7cp01379e},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 21,
volume = 19,
place = {United States},
year = {2017},
month = {5}
}