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

Title: Dynamics of transient species via anion photodetachment

Abstract

Recent experimental and theoretical advances in transient reaction dynamics probed by photodetachment of polyatomic anions are reviewed.

Authors:
ORCiD logo [1]; ORCiD logo [2]
  1. Department of Chemistry and Biochemistry; University of California San Diego; La Jolla; USA
  2. Department of Chemistry and Chemical Biology; University of New Mexico; Albuquerque; USA
Publication Date:
Research Org.:
Univ. of California, San Diego, CA (United States); Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539901
DOE Contract Number:  
FG03-98ER14879; SC0015997
Resource Type:
Journal Article
Journal Name:
Chemical Society Reviews
Additional Journal Information:
Journal Volume: 46; Journal Issue: 24; Journal ID: ISSN 0306-0012
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Continetti, Robert E., and Guo, Hua. Dynamics of transient species via anion photodetachment. United States: N. p., 2017. Web. doi:10.1039/c7cs00684e.
Continetti, Robert E., & Guo, Hua. Dynamics of transient species via anion photodetachment. United States. doi:10.1039/c7cs00684e.
Continetti, Robert E., and Guo, Hua. Sun . "Dynamics of transient species via anion photodetachment". United States. doi:10.1039/c7cs00684e.
@article{osti_1539901,
title = {Dynamics of transient species via anion photodetachment},
author = {Continetti, Robert E. and Guo, Hua},
abstractNote = {Recent experimental and theoretical advances in transient reaction dynamics probed by photodetachment of polyatomic anions are reviewed.},
doi = {10.1039/c7cs00684e},
journal = {Chemical Society Reviews},
issn = {0306-0012},
number = 24,
volume = 46,
place = {United States},
year = {2017},
month = {1}
}

Works referenced in this record:

Laser Control of Chemical Reactions
journal, March 1998


Chemical reaction dynamics with molecular beams
journal, February 2000


State-to-State Dynamics of Elementary Bimolecular Reactions
journal, May 2007


Vibrational Control of Bimolecular Reactions with Methane by Mode, Bond, and Stereo Selectivity
journal, May 2016


Zur Quantentheorie der Molekeln
journal, January 1927


Some Concepts in Reaction Dynamics
journal, May 1987


Modeling the Kinetics of Bimolecular Reactions
journal, November 2006

  • Fernández-Ramos, Antonio; Miller, James A.; Klippenstein, Stephen J.
  • Chemical Reviews, Vol. 106, Issue 11
  • DOI: 10.1021/cr050205w

The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made Simple
journal, October 2014

  • Guo, Hua; Jiang, Bin
  • Accounts of Chemical Research, Vol. 47, Issue 12
  • DOI: 10.1021/ar500350f

Direct Observation of the Transition State
journal, March 1995

  • Polanyi, John C.; Zewail, Ahmed H.
  • Accounts of Chemical Research, Vol. 28, Issue 3
  • DOI: 10.1021/ar00051a005

Negative Ion Spectroscopy
journal, October 1979


Transition State Spectroscopy of Bimolecular Chemical Reactions
journal, October 1992


Probing the transition state with negative ion photodetachment: experiment and theory
journal, January 2005

  • Neumark, Daniel M.
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 3
  • DOI: 10.1039/b417886f

Photoelectron-photofragment coincidence studies of dissociation dynamics
journal, April 1998


C OINCIDENCE S PECTROSCOPY
journal, October 2001


Study of the transition state region in the Cl+HCl reaction by photoelectron spectroscopy of ClHCl
journal, January 1988

  • Metz, R. B.; Kitsopoulos, T.; Weaver, A.
  • The Journal of Chemical Physics, Vol. 88, Issue 2
  • DOI: 10.1063/1.454218

Spectroscopy of the iodine atom + hydrogen iodide transition-state region by photodetachment of IHI-
journal, October 1988

  • Weaver, A.; Metz, R. B.; Bradforth, S. E.
  • The Journal of Physical Chemistry, Vol. 92, Issue 20
  • DOI: 10.1021/j100331a004

Probing the transition state with negative ion photodetachment: the chlorine atom + hydrogen chloride and bromine atom + hydrogen bromide reactions
journal, February 1990

  • Metz, R. B.; Weaver, A.; Bradforth, S. E.
  • The Journal of Physical Chemistry, Vol. 94, Issue 4
  • DOI: 10.1021/j100367a034

Examination of the Br+HI, Cl+HI, and F+HI hydrogen abstraction reactions by photoelectron spectroscopy of BrHI , ClHI , and FHI
journal, June 1990

  • Bradforth, S. E.; Weaver, A.; Arnold, D. W.
  • The Journal of Chemical Physics, Vol. 92, Issue 12
  • DOI: 10.1063/1.458208

Negative-ion photodetachment as a probe of bimolecular transition states: the F + H2 reaction
journal, January 1991

  • Weaver, Alexandra; Neumark, Daniel M.
  • Faraday Discussions of the Chemical Society, Vol. 91
  • DOI: 10.1039/dc9919100005

Experimental and theoretical studies of the F+H 2 transition state region via photoelectron spectroscopy of FH 2
journal, November 1993

  • Bradforth, Stephen E.; Arnold, Don W.; Neumark, Daniel M.
  • The Journal of Chemical Physics, Vol. 99, Issue 9
  • DOI: 10.1063/1.465873

Spectroscopic observation of resonances in the F + H2 reaction
journal, July 2015


A three dimensional reactive scattering study of the photodetachment spectrum of ClHCl
journal, April 1989

  • Schatz, George C.
  • The Journal of Chemical Physics, Vol. 90, Issue 7
  • DOI: 10.1063/1.455817

The Transition State of the F + H2 Reaction
journal, December 1993


Recent Advances in Quantum Dynamics of Bimolecular Reactions
journal, May 2016


A review of dynamical resonances in A  +  BC chemical reactions
journal, December 2016


Molecular Photodetachment Spectrometry. I. The Electron Affinity of Nitric Oxide and the Molecular Constants of N O
journal, August 1972


Molecular Photodetachment Spectrometry. II. The Electron Affinity of O 2 and the Structure of O 2
journal, August 1972


Photodestruction cross sections for mass-selected ion clusters: (CO2)n+
journal, December 1984


Photodissociation spectroscopy and dynamics of the N 2 O 2 anion
journal, April 1996

  • Osborn, David L.; Leahy, David J.; Cyr, Douglas R.
  • The Journal of Chemical Physics, Vol. 104, Issue 13
  • DOI: 10.1063/1.471132

Slow photoelectron velocity-map imaging spectroscopy of C2N−, C4N−, and C6N−
journal, February 2009

  • Garand, Etienne; Yacovitch, Tara I.; Neumark, Daniel M.
  • The Journal of Chemical Physics, Vol. 130, Issue 6
  • DOI: 10.1063/1.3076320

A versatile, pulsed anion source utilizing plasma-entrainment: Characterization and applications
journal, January 2015

  • Lu, Yu-Ju; Lehman, Julia H.; Lineberger, W. Carl
  • The Journal of Chemical Physics, Vol. 142, Issue 4
  • DOI: 10.1063/1.4906300

A pulsed supersonic entrainment reactor for the rational preparation of cold ionic complexes
journal, January 2000

  • Robertson, W. H.; Kelley, J. A.; Johnson, M. A.
  • Review of Scientific Instruments, Vol. 71, Issue 12
  • DOI: 10.1063/1.1326931

High resolution photodetachment spectroscopy of negative ions via slow photoelectron imaging
journal, October 2004

  • Osterwalder, Andreas; Nee, Matthew J.; Zhou, Jia
  • The Journal of Chemical Physics, Vol. 121, Issue 13
  • DOI: 10.1063/1.1787491

Slow Electron Velocity-Map Imaging of Negative Ions: Applications to Spectroscopy and Dynamics
journal, December 2008

  • Neumark, Daniel M.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 51
  • DOI: 10.1021/jp807182q

Slow photoelectron velocity-map imaging spectroscopy of cold negative ions
journal, December 2012

  • Hock, Christian; Kim, Jongjin B.; Weichman, Marissa L.
  • The Journal of Chemical Physics, Vol. 137, Issue 24
  • DOI: 10.1063/1.4772406

Cross sections for photodetachment of electrons from negative ions near threshold
journal, February 1976

  • Reed, Kenneth J.; Zimmerman, Albert H.; Andersen, Hans C.
  • The Journal of Chemical Physics, Vol. 64, Issue 4
  • DOI: 10.1063/1.432404

Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
journal, July 2017

  • Weichman, Marissa L.; DeVine, Jessalyn A.; Babin, Mark C.
  • Nature Chemistry, Vol. 9, Issue 10
  • DOI: 10.1038/nchem.2804

Photoelectron–neutral–neutral coincidence studies of dissociative photodetachment
journal, December 1995

  • Hanold, K. A.; Sherwood, C. R.; Continetti, R. E.
  • The Journal of Chemical Physics, Vol. 103, Issue 22
  • DOI: 10.1063/1.469954

Photoelectron-Photofragment Angular Correlation and Energy Partitioning in Dissociative Photodetachment
journal, October 1996


Transition state dynamics of the OH+H2O hydrogen exchange reaction studied by dissociative photodetachment of H3O2-
journal, January 2000

  • Deyerl, Hans-Jürgen; Khai Luong, A.; Clements, Todd G.
  • Faraday Discussions, Vol. 115
  • DOI: 10.1039/a909619a

Transition state dynamics of the OH+OH→O+H2O reaction studied by dissociative photodetachment of H2O2−
journal, October 2001

  • Deyerl, Hans-Jürgen; Clements, Todd G.; Luong, A. Khai
  • The Journal of Chemical Physics, Vol. 115, Issue 15
  • DOI: 10.1063/1.1404148

Photoelectron–photofragment coincidence study of OHF : transition state dynamics of the reaction OH + F → O + HF
journal, January 2005

  • Deyerl, Hans-Jürgen; Continetti, Robert E.
  • Phys. Chem. Chem. Phys., Vol. 7, Issue 5
  • DOI: 10.1039/B414604B

Predissociation dynamics of formyloxyl radical studied by the dissociative photodetachment of HCO2−/DCO2−+hν→H/D+CO2+e−
journal, September 2001

  • Clements, Todd G.; Continetti, Robert E.
  • The Journal of Chemical Physics, Vol. 115, Issue 12
  • DOI: 10.1063/1.1404143

Exploring the OH+CO→H+CO2 potential surface via dissociative photodetachment of (HOCO)−
journal, October 2002

  • Clements, Todd G.; Continetti, Robert E.; Francisco, Joseph S.
  • The Journal of Chemical Physics, Vol. 117, Issue 14
  • DOI: 10.1063/1.1505439

Imaging a multidimensional multichannel potential energy surface: Photodetachment of H (NH 3 ) and NH 4
journal, June 2016

  • Hu, Qichi; Song, Hongwei; Johnson, Christopher J.
  • The Journal of Chemical Physics, Vol. 144, Issue 24
  • DOI: 10.1063/1.4954187

Photodetachment Imaging Studies of the Electron Affinity of CF 3
journal, January 2001

  • Deyerl, Hans-Jürgen; Alconcel, Leah S.; Continetti, Robert E.
  • The Journal of Physical Chemistry A, Vol. 105, Issue 3
  • DOI: 10.1021/jp003137k

Dynamics on the HOCO potential energy surface studied by dissociative photodetachment of HOCO− and DOCO−
journal, May 2007

  • Lu, Zhou; Hu, Qichi; Oakman, Jonathan E.
  • The Journal of Chemical Physics, Vol. 126, Issue 19
  • DOI: 10.1063/1.2731787

Electrostatic bottle for long-time storage of fast ion beams
journal, March 1997


Photoelectron-photofragment coincidence spectroscopy in a cryogenically cooled linear electrostatic ion beam trap
journal, October 2011

  • Johnson, Christopher J.; Shen, Ben B.; Poad, Berwyck L. J.
  • Review of Scientific Instruments, Vol. 82, Issue 10
  • DOI: 10.1063/1.3641875

Communication: New insight into the barrier governing CO2 formation from OH + CO
journal, May 2011

  • Johnson, Christopher J.; Poad, Berwyck L. J.; Shen, Ben B.
  • The Journal of Chemical Physics, Vol. 134, Issue 17
  • DOI: 10.1063/1.3589860

Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers
journal, January 2014


Energetics and transition-state dynamics of the F + HOCH 3 → HF + OCH 3 reaction
journal, January 2016

  • Ray, Amelia W.; Agarwal, Jay; Shen, Ben B.
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 44
  • DOI: 10.1039/C6CP06409D

Internal energy dependence of the photodissociation dynamics of O 3 using cryogenic photoelectron-photofragment coincidence spectroscopy
journal, September 2017

  • Shen, Ben B.; Benitez, Yanice; Lunny, Katharine G.
  • The Journal of Chemical Physics, Vol. 147, Issue 9
  • DOI: 10.1063/1.4986500

Perspective: Stimulated Raman adiabatic passage: The status after 25 years
journal, May 2015

  • Bergmann, Klaas; Vitanov, Nikolay V.; Shore, Bruce W.
  • The Journal of Chemical Physics, Vol. 142, Issue 17
  • DOI: 10.1063/1.4916903

Do Vibrational Excitations of CHD3 Preferentially Promote Reactivity Toward the Chlorine Atom?
journal, June 2007


Tracking the energy flow along the reaction path
journal, July 2008

  • Yan, S.; Wu, Y. -T.; Liu, K.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 35
  • DOI: 10.1073/pnas.0800220105

Survey of Ar-Tagged Predissociation and Vibrationally Mediated Photodetachment Spectroscopies of the Vinylidene Anion, C 2 H 2
journal, January 2010

  • Gerardi, Helen K.; Breen, Kristin J.; Guasco, Timothy L.
  • The Journal of Physical Chemistry A, Vol. 114, Issue 3
  • DOI: 10.1021/jp9095419

Direct IR excitation in a fast ion beam: application to NO- photodetachment cross sections
journal, April 2014

  • Otto, Rico; Ray, Amelia W.; Daluz, Jennifer S.
  • EPJ Techniques and Instrumentation, Vol. 1, Issue 1
  • DOI: 10.1140/epjti3

State-resolved predissociation dynamics of the formyloxyl radical
journal, January 2014


Nonadiabatic Quantum Chemistry—Past, Present, and Future
journal, November 2011


Multireference explicitly correlated F12 theories
journal, March 2013


From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H 2 O ↔ HX + OH [X = F, Cl, and O( 3 P)] Reactions
journal, May 2015

  • Li, Jun; Jiang, Bin; Song, Hongwei
  • The Journal of Physical Chemistry A, Vol. 119, Issue 20
  • DOI: 10.1021/acs.jpca.5b02510

Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach
journal, July 2016


C ONSTRUCTING M ULTIDIMENSIONAL M OLECULAR P OTENTIAL E NERGY S URFACES FROM A B I NITIO D ATA
journal, October 1999


Molecular potential-energy surfaces for chemical reaction dynamics
journal, December 2002

  • Collins, Michael A.
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 108, Issue 6
  • DOI: 10.1007/s00214-002-0383-5

Automated construction of potential energy surfaces
journal, September 2015


Permutationally invariant potential energy surfaces in high dimensionality
journal, October 2009

  • Braams, Bastiaan J.; Bowman, Joel M.
  • International Reviews in Physical Chemistry, Vol. 28, Issue 4
  • DOI: 10.1080/01442350903234923

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
journal, January 2011

  • Behler, Jörg
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 40
  • DOI: 10.1039/c1cp21668f

Neural network-based approaches for building high dimensional and quantum dynamics-friendly potential energy surfaces
journal, October 2014

  • Manzhos, Sergei; Dawes, Richard; Carrington, Tucker
  • International Journal of Quantum Chemistry, Vol. 115, Issue 16
  • DOI: 10.1002/qua.24795

Permutation invariant polynomial neural network approach to fitting potential energy surfaces
journal, August 2013

  • Jiang, Bin; Guo, Hua
  • The Journal of Chemical Physics, Vol. 139, Issue 5
  • DOI: 10.1063/1.4817187

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
journal, November 2013

  • Li, Jun; Jiang, Bin; Guo, Hua
  • The Journal of Chemical Physics, Vol. 139, Issue 20
  • DOI: 10.1063/1.4832697

Communication: Fitting potential energy surfaces with fundamental invariant neural network
journal, August 2016

  • Shao, Kejie; Chen, Jun; Zhao, Zhiqiang
  • The Journal of Chemical Physics, Vol. 145, Issue 7
  • DOI: 10.1063/1.4961454

High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
journal, January 2011

  • Bowman, Joel M.; Czakó, Gábor; Fu, Bina
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 18
  • DOI: 10.1039/c0cp02722g

Vibronic Structure of the Formyloxyl Radical (HCO 2 ) via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Model Hamiltonian Calculations
journal, January 2010

  • Garand, Etienne; Klein, Kerstin; Stanton, John F.
  • The Journal of Physical Chemistry A, Vol. 114, Issue 3
  • DOI: 10.1021/jp9067894

Non-Adiabatic Effects on Excited States of Vinylidene Observed with Slow Photoelectron Velocity-Map Imaging
journal, December 2016

  • DeVine, Jessalyn A.; Weichman, Marissa L.; Zhou, Xueyao
  • Journal of the American Chemical Society, Vol. 138, Issue 50
  • DOI: 10.1021/jacs.6b10233

Non-adiabaticity: the importance of conical intersections
journal, May 2016


High-Resolution Photoelectron Spectroscopy of Molecules
journal, October 1995


Cross sections and photoelectron angular distributions in photodetachment from negative ions using equation-of-motion coupled-cluster Dyson orbitals
journal, September 2009

  • Oana, C. Melania; Krylov, Anna I.
  • The Journal of Chemical Physics, Vol. 131, Issue 12
  • DOI: 10.1063/1.3231143

Quantum theory of photodetachment spectra of transition states
journal, August 1990

  • Schatz, George C.
  • The Journal of Physical Chemistry, Vol. 94, Issue 16
  • DOI: 10.1021/j100379a005

How to observe the elusive resonances in F + H2 reactive scattering
journal, July 1996


The multi-configurational time-dependent Hartree approach
journal, January 1990


Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl
journal, September 1992

  • Manthe, U.; Meyer, H. ‐D.; Cederbaum, L. S.
  • The Journal of Chemical Physics, Vol. 97, Issue 5
  • DOI: 10.1063/1.463007

Full-dimensional quantum state resolved predissociation dynamics of HCO2 prepared by photodetaching HCO2−
journal, August 2011


State-Resolved Quantum Dynamics of Photodetachment of HCO 2 /DCO 2 on an Accurate Global Potential Energy Surface
journal, January 2015

  • Zou, Lindong; Li, Jun; Wang, Hui
  • The Journal of Physical Chemistry A, Vol. 119, Issue 28
  • DOI: 10.1021/jp512557k

Mode-Specific Energy Disposal in the Four-Atom Reaction OH + D2 rightarrow HOD + D
journal, November 2000


Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH -> H2O + D
journal, July 2011


The dynamics of the D2 + OH → HOD + D reaction: A combined theoretical and experimental study
journal, January 2012

  • Liu, Shu; Xiao, Chunlei; Wang, Tao
  • Faraday Discussions, Vol. 157
  • DOI: 10.1039/c2fd20018j

Transition state spectroscopy of the OH + H2 .fwdarw. H2O + H reaction via photodetachment of H3O- and D3O-
journal, September 1995

  • de Beer, E.; Kim, E. H.; Neumark, D. M.
  • The Journal of Physical Chemistry, Vol. 99, Issue 37
  • DOI: 10.1021/j100037a009

Probing the transition state via photoelectron and photodetachment spectroscopy of H3O-
journal, August 2002

  • Zhang, D. H.; Yang, M.; Collins, M. A.
  • Proceedings of the National Academy of Sciences, Vol. 99, Issue 18
  • DOI: 10.1073/pnas.182297599

Ab initio potential-energy surfaces for the reactions OH+H2↔H2O+H
journal, July 2001

  • Yang, Minghui; Zhang, Dong H.; Collins, Michael A.
  • The Journal of Chemical Physics, Vol. 115, Issue 1
  • DOI: 10.1063/1.1372335

First-Principles Theory for the H + H2O, D2O Reactions
journal, November 2000


Full dimensional time-dependent quantum dynamics study of the H+NH3→H2+NH2 reaction
journal, August 2008

  • Yang, Minghui
  • The Journal of Chemical Physics, Vol. 129, Issue 6
  • DOI: 10.1063/1.2967854

Analytical Potential Energy Surface and Kinetics of the NH 3 + H → NH 2 + H 2 Hydrogen Abstraction and the Ammonia Inversion Reactions
journal, April 2010

  • Espinosa-Garcia, J.; Corchado, J. C.
  • The Journal of Physical Chemistry A, Vol. 114, Issue 12
  • DOI: 10.1021/jp1001513

Nine-dimensional quantum dynamics study of the H 2 + NH 2 → H + NH 3 reaction: a rigorous test of the sudden vector projection model
journal, January 2014

  • Song, Hongwei; Li, Jun; Yang, Minghui
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 33
  • DOI: 10.1039/C4CP02227K

Communication: Equivalence between symmetric and antisymmetric stretching modes of NH 3 in promoting H + NH 3 → H 2 + NH 2 reaction
journal, October 2016

  • Song, Hongwei; Yang, Minghui; Guo, Hua
  • The Journal of Chemical Physics, Vol. 145, Issue 13
  • DOI: 10.1063/1.4963286

The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species
journal, August 1979


A study of the singlet and triplet states of vinylidene by photoelectron spectroscopy of H 2 C=C , D 2 C=C , and HDC=C . Vinylidene–acetylene isomerization
journal, November 1989

  • Ervin, Kent M.; Ho, Joe; Lineberger, W. C.
  • The Journal of Chemical Physics, Vol. 91, Issue 10
  • DOI: 10.1063/1.457415

Study of Unimolecular Reactions by Coulomb Explosion Imaging: The Nondecaying Vinylidene
journal, October 1998


Long Live Vinylidene! A New View of the H 2 CC:  → HC⋮CH Rearrangement from ab Initio Molecular Dynamics
journal, January 2001

  • Hayes, Robin L.; Fattal, Eyal; Govind, Niranjan
  • Journal of the American Chemical Society, Vol. 123, Issue 4
  • DOI: 10.1021/ja000907x

Barrier recrossing in the vinylidene–acetylene isomerization reaction: A five-dimensional ab initio quantum dynamical investigation
journal, November 2001

  • Schork, Rainer; Köppel, Horst
  • The Journal of Chemical Physics, Vol. 115, Issue 17
  • DOI: 10.1063/1.1405120

Accurate Quantum Dynamics Study on the Resonance Decay of Vinylidene
journal, June 2011


Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy Surface
journal, July 2015

  • Guo, Lifen; Han, Huixian; Ma, Jianyi
  • The Journal of Physical Chemistry A, Vol. 119, Issue 31
  • DOI: 10.1021/acs.jpca.5b05061

Full dimensionality quantum calculations of acetylene/vinylidene isomerization
journal, September 2002

  • Zou, Shengli; Bowman, Joel M.
  • The Journal of Chemical Physics, Vol. 117, Issue 12
  • DOI: 10.1063/1.1507118

Encoding of vinylidene isomerization in its anion photoelectron spectrum
journal, October 2017

  • DeVine, Jessalyn A.; Weichman, Marissa L.; Laws, Benjamin
  • Science, Vol. 358, Issue 6361
  • DOI: 10.1126/science.aao1905

Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization
journal, December 2014

  • Han, Huixian; Li, Anyang; Guo, Hua
  • The Journal of Chemical Physics, Vol. 141, Issue 24
  • DOI: 10.1063/1.4904859

Acetylene at the Threshold of Isomerization
journal, April 2000

  • Jacobson, Matthew P.; Field, Robert W.
  • The Journal of Physical Chemistry A, Vol. 104, Issue 14
  • DOI: 10.1021/jp992428u

Alignment of a Molecular Anion via a Shape Resonance in Near-Threshold Photodetachment
journal, September 2007


Photoelectron-photofragment angular correlations in the dissociative photodetachment of HOCO
journal, February 2008


Dissociative Photodetachment Studies of Cooled HOCO¯ Anions Revealing Dissociation Below the Barrier to H + CO 2
journal, May 2010

  • Johnson, Christopher J.; Continetti, Robert E.
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 12
  • DOI: 10.1021/jz100621k

Electron Affinities, Well Depths, and Vibrational Spectroscopy of cis - and trans -HOCO
journal, December 2011

  • Johnson, Christopher J.; Harding, Michael E.; Poad, Berwyck L. J.
  • Journal of the American Chemical Society, Vol. 133, Issue 49
  • DOI: 10.1021/ja207724f

Quantum dynamics of complex-forming bimolecular reactions
journal, January 2012


Spectroscopy and dynamics of the HOCO radical: insights into the OH + CO → H + CO 2 reaction
journal, January 2014

  • Johnson, Christopher J.; Otto, Rico; Continetti, Robert E.
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 36
  • DOI: 10.1039/C4CP02593H

Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO 2 reaction
journal, January 2012

  • Li, Jun; Wang, Yimin; Jiang, Bin
  • The Journal of Chemical Physics, Vol. 136, Issue 4
  • DOI: 10.1063/1.3680256

Quantum dynamics study of the dissociative photodetachment of HOCO−
journal, October 2006

  • Zhang, Shesheng; Medvedev, Dmitry M.; Goldfield, Evelyn M.
  • The Journal of Chemical Physics, Vol. 125, Issue 16
  • DOI: 10.1063/1.2360945

Communication: An accurate global potential energy surface for the OH + CO → H + CO 2 reaction using neural networks
journal, June 2013

  • Chen, Jun; Xu, Xin; Xu, Xin
  • The Journal of Chemical Physics, Vol. 138, Issue 22
  • DOI: 10.1063/1.4811109

Quantum and quasi-classical dynamics of the OH + CO → H + CO 2 reaction on a new permutationally invariant neural network potential energy surface
journal, January 2014

  • Li, Jun; Chen, Jun; Zhang, Dong H.
  • The Journal of Chemical Physics, Vol. 140, Issue 4
  • DOI: 10.1063/1.4863138

Tunneling Facilitated Dissociation to H + CO 2 in HOCO Photodetachment
journal, August 2012


Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO 2
journal, August 2014

  • Wagner, Albert F.; Dawes, Richard; Continetti, Robert E.
  • The Journal of Chemical Physics, Vol. 141, Issue 5
  • DOI: 10.1063/1.4891675

Mode-Specific Tunneling in the Unimolecular Dissociation of cis -HOCO to H + CO 2
journal, January 2014

  • Wang, Xiaohong; Bowman, Joel M.
  • The Journal of Physical Chemistry A, Vol. 118, Issue 4
  • DOI: 10.1021/jp5000655

Study of HCO 2 and DCO 2 by negative ion photoelectron spectroscopy
journal, November 1995

  • Kim, E. H.; Bradforth, S. E.; Arnold, D. W.
  • The Journal of Chemical Physics, Vol. 103, Issue 18
  • DOI: 10.1063/1.470196

Quantitative vibronic coupling calculations: the formyloxyl radical
journal, February 2011

  • Klein, Kerstin; Garand, Etienne; Ichino, Takatoshi
  • Theoretical Chemistry Accounts, Vol. 129, Issue 3-5
  • DOI: 10.1007/s00214-011-0893-0

Vibrationally resolved transition state spectroscopy of the F + H2 and F + CH4 reactions
journal, January 2012

  • Yacovitch, Tara I.; Garand, Etienne; Kim, Jongjin B.
  • Faraday Discussions, Vol. 157
  • DOI: 10.1039/c2fd20011b

Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
journal, December 2013

  • Westermann, Till; Kim, Jongjin B.; Weichman, Marissa L.
  • Angewandte Chemie International Edition, Vol. 53, Issue 4
  • DOI: 10.1002/anie.201307822

Accurate ab Initio Structure, Dissociation Energy, and Vibrational Spectroscopy of the F −CH 4 Anion Complex
journal, August 2008

  • Czakó, Gábor; Braams, Bastiaan J.; Bowman, Joel M.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 32
  • DOI: 10.1021/jp803318a

Communication: Probing the entrance channels of the X + CH4 → HX + CH3 (X = F, Cl, Br, I) reactions via photodetachment of X−–CH4
journal, May 2011

  • Cheng, Min; Feng, Yuan; Du, Yikui
  • The Journal of Chemical Physics, Vol. 134, Issue 19
  • DOI: 10.1063/1.3591179

CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD 3 Reaction
journal, December 2009

  • Czakó, Gábor; Bowman, Joel M.
  • Journal of the American Chemical Society, Vol. 131, Issue 48
  • DOI: 10.1021/ja906886z

A full-dimensional wave packet dynamics study of the photodetachment spectra of FCH 4−
journal, July 2012

  • Palma, Juliana; Manthe, Uwe
  • The Journal of Chemical Physics, Vol. 137, Issue 4
  • DOI: 10.1063/1.4737382

Coupled potential energy surface for the F( 2 P) + CH 4 → HF + CH 3 entrance channel and quantum dynamics of the CH 4  · F photodetachment
journal, July 2013

  • Westermann, Till; Eisfeld, Wolfgang; Manthe, Uwe
  • The Journal of Chemical Physics, Vol. 139, Issue 1
  • DOI: 10.1063/1.4812251

Quantum state-resolved reactive scattering of F+CH4→HF(v,J)+CH3: Nascent HF(v,J) product state distributions
journal, September 2000

  • Harper, Warren W.; Nizkorodov, Sergey A.; Nesbitt, David J.
  • The Journal of Chemical Physics, Vol. 113, Issue 9
  • DOI: 10.1063/1.1287398

State-Specific Correlation of Coincident Product Pairs in the F + CD4 Reaction
journal, May 2003


CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage
journal, July 2009


How Is C–H Vibrational Energy Redistributed in F + CHD 31 = 1) → HF + CD 3 ?
journal, May 2014

  • Yang, Jiayue; Zhang, Dong; Jiang, Bo
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 11
  • DOI: 10.1021/jz5007252

Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl( 2 P, 2 P 3/2 ) + CH 4 → HCl + CH 3 and H + CH 3 Cl reactions
journal, January 2012

  • Czakó, Gábor; Bowman, Joel M.
  • The Journal of Chemical Physics, Vol. 136, Issue 4
  • DOI: 10.1063/1.3679014

A Quasiclassical Study of the F( 2 P) + CHD 31 = 0,1) Reactive System on an Accurate Potential Energy Surface
journal, August 2015


Communication: Mode specific quantum dynamics of the F + CHD 3 → HF + CD 3 reaction
journal, May 2016

  • Qi, Ji; Song, Hongwei; Yang, Minghui
  • The Journal of Chemical Physics, Vol. 144, Issue 17
  • DOI: 10.1063/1.4948547

Quasiclassical Trajectory Study on the Role of CH-Stretching Vibrational Excitation in the F( 2 P) + CHD 3 ( v 1 =0,1) Reactions
journal, December 2015


State-to-State Mode Specificity in F + CHD 3 → HF/DF + CD 3 /CHD 2 Reaction
journal, August 2016

  • Xie, Changjian; Jiang, Bin; Yang, Minghui
  • The Journal of Physical Chemistry A, Vol. 120, Issue 33
  • DOI: 10.1021/acs.jpca.6b06450

Dynamically weighted multiconfiguration self-consistent field: Multistate calculations for F+H2O→HF+OH reaction paths
journal, April 2004

  • Deskevich, Michael P.; Nesbitt, David J.; Werner, Hans-Joachim
  • The Journal of Chemical Physics, Vol. 120, Issue 16
  • DOI: 10.1063/1.1667468

Direct evidence for nonadiabatic dynamics in atom+polyatom reactions: Crossed-jet laser studies of F+D2O→DF+OD
journal, December 2005

  • Ziemkiewicz, Michael; Wojcik, Michael; Nesbitt, David J.
  • The Journal of Chemical Physics, Vol. 123, Issue 22
  • DOI: 10.1063/1.2098648

Crossed jet reactive scattering dynamics of F+H2O→HF(v,J)+OH:HF(v,J) product quantum state distributions under single-collision conditions
journal, November 2008

  • Zolot, Alexander M.; Nesbitt, David J.
  • The Journal of Chemical Physics, Vol. 129, Issue 18
  • DOI: 10.1063/1.2998524

Nonadiabatic reactive scattering in atom+triatom systems: Nascent rovibronic distributions in F+H[sub 2]O→HF+OH
journal, January 2009

  • Ziemkiewicz, Michael; Nesbitt, David J.
  • The Journal of Chemical Physics, Vol. 131, Issue 5
  • DOI: 10.1063/1.3194284

The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods
journal, January 2012

  • Li, Guoliang; Zhou, Liqing; Li, Qian-Shu
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 31
  • DOI: 10.1039/c2cp41555k

Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H 2 O → HF + OH
journal, January 2013

  • Li, Jun; Jiang, Bin; Guo, Hua
  • Journal of the American Chemical Society, Vol. 135, Issue 3
  • DOI: 10.1021/ja311159j

Communication: Covalent nature of X⋯H 2 O (X = F, Cl, and Br) interactions
journal, April 2013

  • Li, Jun; Li, Yongle; Guo, Hua
  • The Journal of Chemical Physics, Vol. 138, Issue 14
  • DOI: 10.1063/1.4801872

Mode specificity in bond selective reactions F + HOD → HF + OD and DF + OH
journal, May 2015

  • Song, Hongwei; Guo, Hua
  • The Journal of Chemical Physics, Vol. 142, Issue 17
  • DOI: 10.1063/1.4919666

A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions
journal, November 2016

  • Zhao, Bin; Sun, Zhigang; Guo, Hua
  • The Journal of Chemical Physics, Vol. 145, Issue 18
  • DOI: 10.1063/1.4966966

Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H 2 O (X = H, F, O( 3 P), and Cl) Reactions
journal, September 2013

  • Jiang, Bin; Guo, Hua
  • Journal of the American Chemical Society, Vol. 135, Issue 40
  • DOI: 10.1021/ja408422y

An ab initio based full-dimensional global potential energy surface for FH 2 O(X 2 A ) and dynamics for the F + H 2 O → HF + HO reaction
journal, September 2012

  • Li, Jun; Dawes, Richard; Guo, Hua
  • The Journal of Chemical Physics, Vol. 137, Issue 9
  • DOI: 10.1063/1.4748857

Reactive and Nonreactive Feshbach Resonances Accessed by Photodetachment of FH 2 O
journal, November 2015


Reaction of a Fluorine Atom with Methanol: Potential Energy Surface Considerations
journal, September 2014

  • Feng, Hao; Randall, Katherine R.; Schaefer, Henry F.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 9
  • DOI: 10.1021/jp508189d

Spectroscopy of the transition state: hydrogen abstraction reactions of fluorine
journal, October 1991

  • Bradforth, S. E.; Arnold, D. W.; Metz, R. B.
  • The Journal of Physical Chemistry, Vol. 95, Issue 21
  • DOI: 10.1021/j100174a014

Stimulated Raman pumping of C2− probed via resonant two-photon detachment
journal, October 1995


Prying Apart a Water Molecule with Anionic H-Bonding:  A Comparative Spectroscopic Study of the X - ·H 2 O (X = OH, O, F, Cl, and Br) Binary Complexes in the 600−3800 cm -1 Region
journal, April 2006

  • Roscioli, Joseph R.; Diken, Eric G.; Johnson, Mark A.
  • The Journal of Physical Chemistry A, Vol. 110, Issue 15
  • DOI: 10.1021/jp056022v