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

This content will become publicly available on September 24, 2021

Title: Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure

Abstract

Making bonds with attopulses: quantum dynamics of the ring closure of norbornadiene to quadricyclane.

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Theoretical Physical Chemistry, RU MOLSYS, University of Liege, B4000 Liege, Belgium
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1669713
Grant/Contract Number:  
SC0012628
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 39; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Valentini, Alessio, van den Wildenberg, Stephan, and Remacle, F. Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure. United Kingdom: N. p., 2020. Web. https://doi.org/10.1039/D0CP03435E.
Valentini, Alessio, van den Wildenberg, Stephan, & Remacle, F. Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure. United Kingdom. https://doi.org/10.1039/D0CP03435E
Valentini, Alessio, van den Wildenberg, Stephan, and Remacle, F. Thu . "Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure". United Kingdom. https://doi.org/10.1039/D0CP03435E.
@article{osti_1669713,
title = {Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure},
author = {Valentini, Alessio and van den Wildenberg, Stephan and Remacle, F.},
abstractNote = {Making bonds with attopulses: quantum dynamics of the ring closure of norbornadiene to quadricyclane.},
doi = {10.1039/D0CP03435E},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 39,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 24, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Photochemical Ring-Opening of Cyclohexadiene: Quantum Wavepacket Dynamics on a Global Ab Initio Potential Energy Surface
journal, April 2010

  • Schönborn, J. B.; Sielk, J.; Hartke, B.
  • The Journal of Physical Chemistry A, Vol. 114, Issue 12
  • DOI: 10.1021/jp909362c

The 198-225-nm Transition of Norbornadiene
journal, August 1994

  • Xing, Xing; Gedanken, Aharon; Sheybani, Abdol-Hakim
  • The Journal of Physical Chemistry, Vol. 98, Issue 34
  • DOI: 10.1021/j100085a007

Attosecond Electron Dynamics in Molecules
journal, May 2017


Time-resolved dissociative intense-laser field ionization for probing dynamics: Femtosecond photochemical ring opening of 1,3-cyclohexadiene
journal, May 2000

  • Fuß, W.; Schmid, W. E.; Trushin, S. A.
  • The Journal of Chemical Physics, Vol. 112, Issue 19
  • DOI: 10.1063/1.481478

Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping
journal, May 2019

  • Polyak, Iakov; Hutton, Lewis; Crespo-Otero, Rachel
  • Journal of Chemical Theory and Computation, Vol. 15, Issue 7
  • DOI: 10.1021/acs.jctc.9b00396

Compression of high-energy laser pulses below 5 fs
journal, January 1997

  • Nisoli, M.; De Silvestri, S.; Svelto, O.
  • Optics Letters, Vol. 22, Issue 8, p. 522-524
  • DOI: 10.1364/OL.22.000522

Attosecond science
journal, June 2007

  • Corkum, P. B.; Krausz, Ferenc
  • Nature Physics, Vol. 3, Issue 6
  • DOI: 10.1038/nphys620

Control of Electron Localization in Molecular Dissociation
journal, April 2006


Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics
journal, December 2003

  • Boggio-Pasqua, Martial; Ravaglia, Marcella; Bearpark, Michael J.
  • The Journal of Physical Chemistry A, Vol. 107, Issue 50
  • DOI: 10.1021/jp036862e

Photoelectron Spectrum and Dynamics of the Uracil Cation
journal, January 2015

  • Assmann, Mariana; Köppel, Horst; Matsika, Spiridoula
  • The Journal of Physical Chemistry A, Vol. 119, Issue 5
  • DOI: 10.1021/jp512221x

Optimal control of the initiation of a pericyclic reaction in the electronic ground state#
journal, January 2012


Probing Time-Dependent Molecular Dipoles on the Attosecond Time Scale
journal, July 2013


Potential energy surface crossings in organic photochemistry
journal, January 1996

  • Bernardi, Fernando; Olivucci, Massimo; Robb, Michael A.
  • Chemical Society Reviews, Vol. 25, Issue 5
  • DOI: 10.1039/cs9962500321

Retro-Diels−Alder Femtosecond Reaction Dynamics
journal, January 1996

  • Horn, B. A.; Herek, J. L.; Zewail, A. H.
  • Journal of the American Chemical Society, Vol. 118, Issue 36
  • DOI: 10.1021/ja9620696

Colloquium : Aligning molecules with strong laser pulses
journal, April 2003


The Energetics of Valence Isomerization in the Norbornadiene−Quadricyclane System
journal, January 1996

  • Bach, Robert D.; Schilke, Iliana L.; Schlegel, H. Bernhard
  • The Journal of Organic Chemistry, Vol. 61, Issue 14
  • DOI: 10.1021/jo952268s

Theoretical and Experimental Determination of the Electronic Spectrum of Norbornadiene
journal, June 1994

  • Roos, Bjoern O.; Merchan, Manuela; McDiarmid, Ruth
  • Journal of the American Chemical Society, Vol. 116, Issue 13
  • DOI: 10.1021/ja00092a049

Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule
journal, October 2019

  • van den Wildenberg, Stephan; Mignolet, Benoit; Levine, R. D.
  • The Journal of Chemical Physics, Vol. 151, Issue 13
  • DOI: 10.1063/1.5116250

Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes
journal, June 1998


Measurement and laser control of attosecond charge migration in ionized iodoacetylene
journal, October 2015


A quantum dynamics study of the benzopyran ring opening guided by laser pulses
journal, October 2014


The Validity of the "Diradical" Hypothesis: Direct Femtoscond Studies of the Transition-State Structures
journal, November 1994


Nonperturbative approach to femtosecond spectroscopy: General theory and application to multidimensional nonadiabatic photoisomerization processes
journal, September 1995

  • Seidner, Luis; Stock, Gerhard; Domcke, Wolfgang
  • The Journal of Chemical Physics, Vol. 103, Issue 10
  • DOI: 10.1063/1.469586

Theory of strong-field attosecond transient absorption
journal, February 2016

  • Wu, Mengxi; Chen, Shaohao; Camp, Seth
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 6
  • DOI: 10.1088/0953-4075/49/6/062003

Spatial and temporal control of populations, branching ratios, and electronic coherences in LiH by a single one-cycle infrared pulse
journal, May 2017


Advances in attosecond science
journal, February 2016

  • Calegari, Francesca; Sansone, Giuseppe; Stagira, Salvatore
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 6
  • DOI: 10.1088/0953-4075/49/6/062001

Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile
journal, February 2002

  • Fuß, Werner; Pushpa, Kumbil Kuttan; Rettig, Wolfgang
  • Photochemical & Photobiological Sciences, Vol. 1, Issue 4
  • DOI: 10.1039/b111678a

Visualizing electron rearrangement in space and time during the transition from a molecule to atoms
journal, November 2010

  • Li, W.; Jaron-Becker, A. A.; Hogle, C. W.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 47
  • DOI: 10.1073/pnas.1014723107

Ultrafast electron dynamics in phenylalanine initiated by attosecond pulses
journal, October 2014


Photodeactivation paths in norbornadiene
journal, April 2013

  • Antol, Ivana
  • Journal of Computational Chemistry, Vol. 34, Issue 17
  • DOI: 10.1002/jcc.23270

Laser Steered Ultrafast Quantum Dynamics of Electrons in LiH
journal, November 2007


Does a dissociating molecule sample the available phase space
journal, September 1991

  • Remacle, F.; Levine, R. D.
  • The Journal of Physical Chemistry, Vol. 95, Issue 19
  • DOI: 10.1021/j100172a005

Ultrafast structural and isomerization dynamics in the Rydberg-exited Quadricyclane: Norbornadiene system
journal, April 2012

  • Rudakov, Fedor; Weber, Peter M.
  • The Journal of Chemical Physics, Vol. 136, Issue 13
  • DOI: 10.1063/1.3697472

Quantum dynamics of photoexcited cyclohexadiene introducing reactive coordinates
journal, March 2000

  • Hofmann, Angelika; de Vivie-Riedle, Regina
  • The Journal of Chemical Physics, Vol. 112, Issue 11
  • DOI: 10.1063/1.481059

Femtosecond dynamics of retro Diels–Alder reactions: the concept of concertedness
journal, April 1999


Observation of laser-induced electronic structure in oriented polyatomic molecules
journal, May 2015

  • Kraus, P. M.; Tolstikhin, O. I.; Baykusheva, D.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8039

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling
journal, November 2017

  • Peters, William K.; Couch, David E.; Mignolet, Benoit
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 52
  • DOI: 10.1073/pnas.1712566114

Role of Rydberg States in the Photochemical Dynamics of Ethylene
journal, December 2011

  • Mori, Toshifumi; Glover, William J.; Schuurman, Michael S.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 11
  • DOI: 10.1021/jp2097185

The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction
journal, April 2019


OpenMolcas: From Source Code to Insight
journal, September 2019

  • Fdez. Galván, Ignacio; Vacher, Morgane; Alavi, Ali
  • Journal of Chemical Theory and Computation, Vol. 15, Issue 11
  • DOI: 10.1021/acs.jctc.9b00532

Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier
journal, February 2013


Direct Observation of Disrotatory Ring-Opening in Photoexcited Cyclobutene Using ab Initio Molecular Dynamics
journal, July 2000

  • Ben-Nun, M.; Martínez, Todd J.
  • Journal of the American Chemical Society, Vol. 122, Issue 26
  • DOI: 10.1021/ja9943896

Propagation of nonstationary electronic and nuclear states: attosecond dynamics in LiF
journal, March 2018


Correlated electron–nuclear motion during non-adiabatic transitions in LiH and its isotopomers
journal, June 2020

  • Komarova, Ksenia G.; van den Wildenberg, Stephan; Remacle, Françoise
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 53, Issue 13
  • DOI: 10.1088/1361-6455/ab84c7

Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections
journal, October 2001


Ultrafast Population Inversion without the Strong Field Catch: The Parallel Transfer
journal, April 2015

  • Chang, Bo Y.; Shin, Seokmin; Sola, Ignacio R.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 9
  • DOI: 10.1021/acs.jpclett.5b00651

Nonstationary Electronic States and Site-Selective Reactivity
journal, October 1997

  • Weinkauf, R.; Schlag, E. W.; Martinez, T. J.
  • The Journal of Physical Chemistry A, Vol. 101, Issue 42
  • DOI: 10.1021/jp9715742

Single-Cycle Nonlinear Optics
journal, June 2008


Attosecond Charge Migration Can Break Electron Symmetry While Conserving Nuclear Symmetry
journal, April 2020

  • Haase, Dietrich; Manz, Jörn; Tremblay, Jean Christophe
  • The Journal of Physical Chemistry A, Vol. 124, Issue 17
  • DOI: 10.1021/acs.jpca.0c00404

Highly Efficient Charge Transfer in Peptide Cations in the Gas Phase:  Threshold Effects and Mechanism
journal, January 1996

  • Weinkauf, R.; Schanen, P.; Metsala, A.
  • The Journal of Physical Chemistry, Vol. 100, Issue 47
  • DOI: 10.1021/jp960926m

Intense 8-fs pulse generation in the deep ultraviolet
journal, January 1999

  • Durfee, Charles G.; Backus, Sterling; Kapteyn, Henry C.
  • Optics Letters, Vol. 24, Issue 10
  • DOI: 10.1364/OL.24.000697

Electronic Bond-to-Bond Fluxes in Pericyclic Reactions: Synchronous or Asynchronous?
journal, November 2011

  • Bredtmann, Timm; Manz, Jörn
  • Angewandte Chemie International Edition, Vol. 50, Issue 52
  • DOI: 10.1002/anie.201104465

Impulsive orientation and alignment of quantum-state-selected NO molecules
journal, March 2009

  • Ghafur, Omair; Rouzée, Arnaud; Gijsbertsen, Arjan
  • Nature Physics, Vol. 5, Issue 4
  • DOI: 10.1038/nphys1225

An electronic time scale in chemistry
journal, April 2006

  • Remacle, F.; Levine, R. D.
  • Proceedings of the National Academy of Sciences, Vol. 103, Issue 18
  • DOI: 10.1073/pnas.0601855103

Optimal control theory – closing the gap between theory and experiment
journal, January 2012

  • Hoff, Philipp von den; Thallmair, Sebastian; Kowalewski, Markus
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 42
  • DOI: 10.1039/c2cp41838j

On the feasibility of an ultrafast purely electronic reorganization in lithium hydride
journal, September 2007


Electronic Control of Site Selective Reactivity:  A Model Combining Charge Migration and Dissociation
journal, December 1999

  • Remacle, F.; Levine, R. D.; Schlag, E. W.
  • The Journal of Physical Chemistry A, Vol. 103, Issue 49
  • DOI: 10.1021/jp991853k