skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Excited-state dynamics of CH 2 I 2 and CH 2 IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794, USA
  2. Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary, Research Center for Natural Sciences, Magyar Tudósok Körútja 2, H-1117 Budapest, Hungary
  3. University of Vienna, Faculty of Chemistry, Institute of Theoretical Chemistry, Währinger Straße 17, 1090 Wien, Austria, Vienna Research Platform on Accelerating Photoreaction Discovery, University of Vienna, Währinger Straße 17, 1090 Wien, Austria, University of Vienna, Faculty of Chemistry, Data Science @ Uni Vienna, Währinger Straße 29, 1090 Wien, Austria
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1708959
Grant/Contract Number:  
EFG02-08ER15984
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 153 Journal Issue: 18; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, and Weinacht, Thomas. Excited-state dynamics of CH 2 I 2 and CH 2 IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. United States: N. p., 2020. Web. https://doi.org/10.1063/5.0026177.
Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, & Weinacht, Thomas. Excited-state dynamics of CH 2 I 2 and CH 2 IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. United States. https://doi.org/10.1063/5.0026177
Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, and Weinacht, Thomas. Sat . "Excited-state dynamics of CH 2 I 2 and CH 2 IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy". United States. https://doi.org/10.1063/5.0026177.
@article{osti_1708959,
title = {Excited-state dynamics of CH 2 I 2 and CH 2 IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy},
author = {Liu, Yusong and Rozgonyi, Tamás and Marquetand, Philipp and Weinacht, Thomas},
abstractNote = {},
doi = {10.1063/5.0026177},
journal = {Journal of Chemical Physics},
number = 18,
volume = 153,
place = {United States},
year = {2020},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/5.0026177

Save / Share:

Works referenced in this record:

Time-resolved multi-mass ion imaging: Femtosecond UV-VUV pump-probe spectroscopy with the PImMS camera
journal, July 2017

  • Forbes, Ruaridh; Makhija, Varun; Veyrinas, Kévin
  • The Journal of Chemical Physics, Vol. 147, Issue 1
  • DOI: 10.1063/1.4978923

Excited state dynamics of CH 2 I 2 and CH 2 BrI studied with UV pump VUV probe photoelectron spectroscopy
journal, May 2019

  • Horton, Spencer L.; Liu, Yusong; Forbes, Ruaridh
  • The Journal of Chemical Physics, Vol. 150, Issue 17
  • DOI: 10.1063/1.5086665

Dynamics at Conical Intersections
journal, April 2018


Femtosecond time‐resolved ionization spectroscopy of ultrafast internal‐conversion dynamics in polyatomic molecules: Theory and computational studies
journal, December 1991

  • Seel, Matthias; Domcke, Wolfgang
  • The Journal of Chemical Physics, Vol. 95, Issue 11
  • DOI: 10.1063/1.461816

Energy Conversion in Natural and Artificial Photosynthesis
journal, May 2010


The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems
journal, August 2007

  • Barbatti, Mario; Granucci, Giovanni; Persico, Maurizio
  • Journal of Photochemistry and Photobiology A: Chemistry, Vol. 190, Issue 2-3
  • DOI: 10.1016/j.jphotochem.2006.12.008

Nonadiabatic dynamics: The SHARC approach
journal, May 2018

  • Mai, Sebastian; Marquetand, Philipp; González, Leticia
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 6
  • DOI: 10.1002/wcms.1370

Perspective: Nonadiabatic dynamics theory
journal, December 2012

  • Tully, John C.
  • The Journal of Chemical Physics, Vol. 137, Issue 22
  • DOI: 10.1063/1.4757762

Excited state dynamics of cis , cis -1,3-cyclooctadiene: UV pump VUV probe time-resolved photoelectron spectroscopy
journal, August 2020

  • Liu, Yusong; Chakraborty, Pratip; Matsika, Spiridoula
  • The Journal of Chemical Physics, Vol. 153, Issue 7
  • DOI: 10.1063/5.0006920

Excited states dynamics of DNA and RNA bases: Characterization of a stepwise deactivation pathway in the gas phase
journal, February 2005

  • Canuel, Clélia; Mons, Michel; Piuzzi, François
  • The Journal of Chemical Physics, Vol. 122, Issue 7
  • DOI: 10.1063/1.1850469

Femtosecond photodissociation dynamics of chloroiodomethane in the first absorption band
journal, September 2017


Ultrafast internal conversion dynamics of highly excited pyrrole studied with VUV/UV pump probe spectroscopy
journal, February 2017

  • Horton, Spencer L.; Liu, Yusong; Chakraborty, Pratip
  • The Journal of Chemical Physics, Vol. 146, Issue 6
  • DOI: 10.1063/1.4975765

Coincidence velocity map imaging using Tpx3Cam, a time stamping optical camera with 1.5 ns timing resolution
journal, November 2017

  • Zhao, Arthur; van Beuzekom, Martin; Bouwens, Bram
  • Review of Scientific Instruments, Vol. 88, Issue 11
  • DOI: 10.1063/1.4996888

Quantum control of energy flow in light harvesting
journal, May 2002

  • Herek, Jennifer L.; Wohlleben, Wendel; Cogdell, Richard J.
  • Nature, Vol. 417, Issue 6888, p. 533-535
  • DOI: 10.1038/417533a

Photodissociation dynamics of bromoiodomethane from the first and second absorption bands. A combined velocity map and slice imaging study
journal, January 2018

  • Marggi Poullain, Sonia; Chicharro, David V.; Navarro, Eduardo
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 5
  • DOI: 10.1039/C7CP07077B

Ultrafast internal conversion in ethylene. I. The excited state lifetime
journal, June 2011

  • Tao, H.; Allison, T. K.; Wright, T. W.
  • The Journal of Chemical Physics, Vol. 134, Issue 24
  • DOI: 10.1063/1.3604007

Imaging CF 3 I conical intersection and photodissociation dynamics with ultrafast electron diffraction
journal, July 2018


Ultrafast internal conversion and photodissociation of molecules excited by femtosecond 155 nm laser pulses
journal, October 1999

  • Farmanara, P.; Steinkellner, O.; Wick, M. T.
  • The Journal of Chemical Physics, Vol. 111, Issue 14
  • DOI: 10.1063/1.479932

Nonadiabatic dynamics with trajectory surface hopping method: Dynamics with surface hopping
journal, May 2011

  • Barbatti, Mario
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 1, Issue 4
  • DOI: 10.1002/wcms.64

The restricted active space (RAS) state interaction approach with spin–orbit coupling
journal, May 2002


Femtosecond Time-Resolved Photoelectron Spectroscopy
journal, April 2004

  • Stolow, Albert; Bragg, Arthur E.; Neumark, Daniel M.
  • Chemical Reviews, Vol. 104, Issue 4
  • DOI: 10.1021/cr020683w

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
journal, February 2016

  • Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian
  • Journal of Chemical Theory and Computation, Vol. 12, Issue 3
  • DOI: 10.1021/acs.jctc.5b01148

Challenges in Simulating Light-Induced Processes in DNA
journal, December 2016


Relativistic Douglas-Kroll-Hess theory: Relativistic DKH theory
journal, June 2011

  • Reiher, Markus
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1
  • DOI: 10.1002/wcms.67

The IPEA dilemma in CASPT2
journal, January 2017

  • Zobel, J. Patrick; Nogueira, Juan J.; González, Leticia
  • Chemical Science, Vol. 8, Issue 2
  • DOI: 10.1039/c6sc03759c

Characterizing Multiphoton Excitation Using Time-Resolved X-ray Scattering
journal, March 2020


Direct Observation of Electronic Relaxation Dynamics in Adenine via Time-Resolved Photoelectron Spectroscopy
journal, March 2004

  • Ullrich, Susanne; Schultz, Thomas; Zgierski, Marek Z.
  • Journal of the American Chemical Society, Vol. 126, Issue 8
  • DOI: 10.1021/ja030532q

Molecular basis of photoprotection and control of photosynthetic light-harvesting
journal, July 2005

  • Pascal, Andrew A.; Liu, Zhenfeng; Broess, Koen
  • Nature, Vol. 436, Issue 7047
  • DOI: 10.1038/nature03795

Probing Ultrafast Internal Conversion through Conical Intersection via Time-Energy Map of Photoelectron Angular Anisotropy
journal, August 2009

  • Horio, Takuya; Fuji, Takao; Suzuki, Yoshi-Ichi
  • Journal of the American Chemical Society, Vol. 131, Issue 30
  • DOI: 10.1021/ja904780b

Ultrafast internal conversion in ethylene. II. Mechanisms and pathways for quenching and hydrogen elimination
journal, March 2012

  • Allison, T. K.; Tao, H.; Glover, W. J.
  • The Journal of Chemical Physics, Vol. 136, Issue 12
  • DOI: 10.1063/1.3697760

Critical appraisal of the fewest switches algorithm for surface hopping
journal, April 2007

  • Granucci, Giovanni; Persico, Maurizio
  • The Journal of Chemical Physics, Vol. 126, Issue 13
  • DOI: 10.1063/1.2715585

Dynamics of Light Harvesting in Photosynthesis
journal, May 2009


Femtosecond Dynamics of Small Molecules Studied with Vacuum-Ultraviolet Pulse Pairs
conference, January 2010

  • Allison, T. K.; Wright, T. W.; Stooke, A. M.
  • International Conference on Ultrafast Phenomena
  • DOI: 10.1364/UP.2010.WB6

DNA/RNA: Building Blocks of Life Under UV Irradiation
journal, June 2010

  • Gustavsson, Thomas; Improta, Roberto; Markovitsi, Dimitra
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 13
  • DOI: 10.1021/jz1004973

Electronic relaxation dynamics in DNA and RNA bases studied by time-resolved photoelectron spectroscopy
journal, January 2004

  • Ullrich, Susanne; Schultz, Thomas; Zgierski, Marek Z.
  • Physical Chemistry Chemical Physics, Vol. 6, Issue 10
  • DOI: 10.1039/b316324e

Halogen-atom effect on the ultrafast photodissociation dynamics of the dihalomethanes CH 2 ICl and CH 2 BrI
journal, January 2018

  • Murillo-Sánchez, Marta L.; Marggi Poullain, Sonia; Bajo, Juan J.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 32
  • DOI: 10.1039/c8cp03600d

SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings
journal, March 2011

  • Richter, Martin; Marquetand, Philipp; González-Vázquez, Jesús
  • Journal of Chemical Theory and Computation, Vol. 7, Issue 5
  • DOI: 10.1021/ct1007394

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table : Molcas 8
journal, November 2015

  • Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.
  • Journal of Computational Chemistry, Vol. 37, Issue 5
  • DOI: 10.1002/jcc.24221

Photoinduced Conversion of Silver Nanospheres to Nanoprisms
journal, November 2001


Molecular dynamics with electronic transitions
journal, July 1990

  • Tully, John C.
  • The Journal of Chemical Physics, Vol. 93, Issue 2
  • DOI: 10.1063/1.459170

UV–VIS absorption cross-sections and atmospheric lifetimes of CH2Br2, CH2I2 and CH2BrI
journal, January 1998

  • Mössinger, Juliane C.; Shallcross, Dudley E.; Anthony Cox, R.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 94, Issue 10
  • DOI: 10.1039/a709160e

The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules of Atmospheric Interest
journal, January 2013

  • Keller-Rudek, H.; Moortgat, G. K.; Sander, R.
  • Earth System Science Data Discussions, Vol. 6, Issue 2
  • DOI: 10.5194/essdd-6-411-2013

Ultrafast Internal Conversion of Electronically Excited RNA and DNA Nucleosides in Water
journal, September 2000

  • Pecourt, Jean-Marc L.; Peon, Jorge; Kohler, Bern
  • Journal of the American Chemical Society, Vol. 122, Issue 38
  • DOI: 10.1021/ja0021520

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy
journal, April 2018

  • Boguslavskiy, Andrey E.; Schalk, Oliver; Gador, Niklas
  • The Journal of Chemical Physics, Vol. 148, Issue 16
  • DOI: 10.1063/1.5016452

Direct semiclassical simulation of photochemical processes with semiempirical wave functions
journal, June 2001

  • Granucci, G.; Persico, M.; Toniolo, A.
  • The Journal of Chemical Physics, Vol. 114, Issue 24
  • DOI: 10.1063/1.1376633

Time-resolved photoelectron spectroscopy of non-adiabatic electronic dynamics in gas and liquid phases
journal, April 2012


Multiconfiguration perturbation theory with imaginary level shift
journal, August 1997