Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction
Abstract
X-ray vision catches Woodward-Hoffmann: The celebrated Woodward-Hoffmann (W-H) rules rationalize a variety of rapid bond rearrangements in organic molecules. The key insight involved symmetry conservation in the electronic journey from reactant to product. Attar et al. now report femtosecond x-ray absorption spectra and accompanying simulation studies that track shifts in carbon electronic states during one such reaction: the photochemical ring opening of cyclohexadiene to hexatriene (see the Perspective by Sension). The smooth evolution that occurs in the vicinity of the pericyclic minimum provides direct affirmation of the W-H framework. Moreover, the use of a convenient tabletop apparatus bodes well for future x-ray studies of ultrafast electronic dynamics. Science , this issue p. 54 ; see also p. 31
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
At photon energies up to 300 eV, the state-of-the-art in x-ray transient-absorption dynamics (based on femtosecond high harmonics) has been used to measure excited-state ring opening of cyclohexadiene.
“At photon energies up to 300 eV, the state-ofthe-art in x-ray transient-absorption dynamics (based on femtosecond high harmonics) has been used to measure excited-state ring opening of cyclohexadiene [216] (figure 26)”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [216]
X-ray fs identification of the key transition state labeled 2 A for ring opening of cyclohexadiene.
“X-ray fs identification of the key transition state labeled 2 A, blue points, for ring opening of cyclohexadiene.”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [216]
Cites
Weigend, F., & Ahlrichs, R. (2005) · Physical Chemistry Chemical Physics · doi:10.1039/b508541a · Cited by 30,761 · see citing works
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
Momma, K., & Izumi, F. (2011) · Journal of Applied Crystallography · doi:10.1107/s0021889811038970 · Cited by 26,123 · see citing works
Canonical dynamics: Equilibrium phase-space distributions
Hoover, W. G. (1985) · Physical Review A · doi:10.1103/physreva.31.1695 · Cited by 23,453 · see citing works
Toward reliable density functional methods without adjustable parameters: The PBE0 model
Adamo, C., & Barone, V. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478522 · Cited by 19,137 · see citing works
A molecular dynamics method for simulations in the canonical ensemble
Nosé, S. (1984) · Molecular Physics · doi:10.1080/00268978400101201 · Cited by 10,049 · see citing works
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914 · see citing works
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
Valiev, M., Bylaska, E. J., Govind, N., Kowalski, K., Straatsma, T. P., van Dam, H. J. J., Wang, D., Nieplocha, J., Aprà, E., Windus, T. L., et al. (2010) · Computer Physics Communications · doi:10.1016/j.cpc.2010.04.018 · Cited by 5,794 · see citing works
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Shao, Y., Gan, Z., Epifanovsky, E., Gilbert, A. T. B., Wormit, M., Kußmann, J., Lange, A. W., Behn, A., Deng, J., Feng, X., et al. (2014) · Molecular Physics · doi:10.1080/00268976.2014.952696 · Cited by 2,985 · see citing works
Self-citationTime-Dependent Density Functional Response Theory for Molecules
Casida, M. E. (1995) · Recent advances in computational · doi:10.1142/9789812830586_0005 · Cited by 2,322 · see citing works
Time-dependent density functional theory within the Tamm–Dancoff approximation
Hirata, S., & Head‐Gordon, M. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(99)01149-5 · Cited by 2,284 · see citing works
Property-optimized Gaussian basis sets for molecular response calculations
Rappoport, D., & Furche, F. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3484283 · Cited by 2,113 · see citing works
Stereochemistry of Electrocyclic Reactions
Woodward, R. B., & Hoffmann, R. (1965) · Journal of the American Chemical Society · doi:10.1021/ja01080a054 · Cited by 1,400 · see citing works
Rapid and reversible shape changes of molecular crystals on photoirradiation
Kobatake, S., Takami, S., Muto, H., Ishikawa, T., & Irie, M. (2007) · Nature · doi:10.1038/nature05669 · Cited by 1,283 · see citing works
Furche, F., Ahlrichs, R., Hättig, C., Klopper, W., Sierka, M., & Weigend, F. (2013) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1162 · Cited by 933 · see citing works
Conservation of orbital symmetry
Hoffmann, R., & Woodward, R. B. (1968) · Accounts of Chemical Research · doi:10.1021/ar50001a003 · Cited by 660 · see citing works
Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)
Gilbert, A. T. B., Besley, N. A., & Gill, P. M. W. (2008) · The Journal of Physical Chemistry A · doi:10.1021/jp801738f · Cited by 619 · see citing works
Irie, M., Kobatake, S., & Horichi, M. (2001) · Science · doi:10.1126/science.291.5509.1769 · Cited by 611 · see citing works
Accurate sampling using Langevin dynamics
Bussi, G., & Parrinello, M. (2007) · Physical Review E · doi:10.1103/physreve.75.056707 · Cited by 442 · see citing works
Time-resolved x-ray absorption spectroscopy with a water window high-harmonic source
Pertot, Y., Schmidt, C., Matthews, M., Chauvet, A., Huppert, M., Svoboda, V., von Conta, A., Tehlar, A., Baykusheva, D., Wolf, J.-P., et al. (2017) · Science · doi:10.1126/science.aah6114 · Cited by 383 · see citing works
Attosecond Time-Resolved Autoionization of Argon
Wang, H., Chini, M., Chen, S., Zhang, C.-H., He, F., Cheng, Y., Wu, Y., Thumm, U., & Chang, Z. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.143002 · Cited by 376 · see citing works
Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction
Minitti, M. P., Budarz, J. M., Kirrander, A., Robinson, J. S., Ratner, D., Lane, T. J., Zhu, D., Glownia, J. M., Kozina, M., Lemke, H. T., et al. (2015) · Physical Review Letters · doi:10.1103/physrevlett.114.255501 · Cited by 318 · see citing works
The Conservation of Orbital Symmetry
(1971) · Elsevier eBooks · doi:10.1016/c2013-0-12537-8 · Cited by 265 · see citing works
Send, R., & Furche, F. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3292571 · Cited by 262 · see citing works
Symmetry control and photoinduced reactions
van der Lugt, W. T. A. M., & Oosterhoff, L. J. (1969) · Journal of the American Chemical Society · doi:10.1021/ja01050a019 · Cited by 248 · see citing works
Probing the transition state region in catalytic CO oxidation on Ru
Öström, H., Öberg, H., Xin, H., LaRue, J. L., Beye, M., Dell’Angela, M., Gladh, J., Ng, M. L., Sellberg, J. A., Kaya, S., et al. (2015) · Science · doi:10.1126/science.1261747 · Cited by 237 · see citing works
Huse, N., Cho, H., Hong, K., Jamula, L. L., de Groot, F. M. F., Kim, T. K., McCusker, J. K., & Schoenlein, R. W. (2011) · The Journal of Physical Chemistry Letters · doi:10.1021/jz200168m · Cited by 187 · see citing works
Remarks on the specificities of the photochemical and thermal transformations in the vitamin D field
Havinga, E., & Schlatmann, J. L. M. A. (1961) · Tetrahedron · doi:10.1016/0040-4020(61)80065-3 · Cited by 183 · see citing works
Sub-cycle Oscillations in Virtual States Brought to Light
Chini, M., Wang, X., Cheng, Y., Wu, Y., Zhao, D., Telnov, D. A., Chu, S., & Chang, Z. (2013) · Scientific Reports · doi:10.1038/srep01105 · Cited by 177 · see citing works
Gawełda, W., Johnson, M., de Groot, F. M. F., Abela, R., Bressler, C., & Chergui, M. (2006) · Journal of the American Chemical Society · doi:10.1021/ja054932k · Cited by 175 · see citing works
Reaction Path of a sub-200 fs Photochemical Electrocyclic Reaction
Garavelli, M., Page, C. S., Celani, P., Olivucci, M., Schmid, W. E., Trushin, S. A., & Fuß, W. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp010359p · Cited by 157 · see citing works
Vura‐Weis, J., Jiang, C., Liu, C., Gao, H., Lucas, J. M., de Groot, F. M. F., Yang, P., Alivisatos, A. P., & Leone, S. R. (2013) · The Journal of Physical Chemistry Letters · doi:10.1021/jz401997d · Cited by 137 · see citing works
Self-citationThe photochemical interconversions of provitamin D, lumisterol, previtamin D and tachysterol
Havinga, E., de Kock, R. J., & Rappoldt, M. P. (1960) · Tetrahedron · doi:10.1016/s0040-4020(01)93178-3 · Cited by 123 · see citing works
Recent advances on ultrafast X-ray spectroscopy in the chemical sciences
Chen, L. X., Zhang, X., & Shelby, M. L. (2014) · Chemical Science · doi:10.1039/c4sc01333f · Cited by 117 · see citing works
Kosma, K., Trushin, S. A., Fuß, W., & Schmid, W. E. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b814201g · Cited by 105 · see citing works
Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations
Tapavicza, E., Meyer, A. M., & Furche, F. (2011) · Physical Chemistry Chemical Physics · doi:10.1039/c1cp21292c · Cited by 100 · see citing works
Zhang, Y. A., Biggs, J. D., Healion, D., Govind, N., & Mukamel, S. (2012) · The Journal of Chemical Physics · doi:10.1063/1.4766356 · Cited by 93 · see citing works
Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization
Tamura, H., Nanbu, S., Ishida, T., & Nakamura, H. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2171688 · Cited by 90 · see citing works
Ultrafast polyene dynamics: the ring opening of 1,3-cyclohexadiene derivatives
Arruda, B. C., & Sension, R. J. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp54767a · Cited by 90 · see citing works
Sairanen, O.-P., Kivimäki, A., Nõmmiste, E., Aksela, H., & Aksela, S. (1996) · Physical Review A · doi:10.1103/physreva.54.2834 · Cited by 87 · see citing works
The ultrafast photochemical ring-opening reaction of 1,3-cyclohexadiene in cyclohexane
Pullen, S. H., Anderson, N. A., Walker, L. A., & Sension, R. J. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476366 · Cited by 85 · see citing works
Femtosecond X-ray absorption study of electron localization in photoexcited anatase TiO2
Santomauro, F., Lübcke, A., Rittmann, J., Baldini, E., Ferrer, A., Silatani, M., Zimmermann, P., Grübel, S., Johnson, J. A., Mariager, S. O., et al. (2015) · Scientific Reports · doi:10.1038/srep14834 · Cited by 79 · see citing works
Pemberton, C. C., Zhang, Y., Saita, K., Kirrander, A., & Weber, P. M. (2015) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.5b05672 · Cited by 77 · see citing works
Attar, A., Bhattacherjee, A., & Leone, S. R. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b02489 · Cited by 74 · see citing works
Self-citationKuiken, B. E. V., Huse, N., Cho, H., Strader, M. L., Lynch, M. S., Schoenlein, R. W., & Khalil, M. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz300671e · Cited by 71 · see citing works
Laser control schemes for molecular switches
Geppert, D., Seyfarth, L., & de Vivie‐Riedle, R. (2004) · Applied Physics B · doi:10.1007/s00340-004-1636-x · Cited by 66 · see citing works
Kuiken, B. E. V., Cho, H., Hong, K., Khalil, M., Schoenlein, R. W., Kim, T. K., & Huse, N. (2016) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b02509 · Cited by 66 · see citing works
Subpicosecond Ring Opening of 7-Dehydrocholesterol Studied by Ultrafast Spectroscopy
Anderson, N. A., Shiang, J. J., & Sension, R. J. (1999) · The Journal of Physical Chemistry A · doi:10.1021/jp992267u · Cited by 63 · see citing works
Neville, S. P., Averbukh, V., Patchkovskii, S., Ruberti, M., Yun, R., Chergui, M., Stolow, A., & Schuurman, M. S. (2016) · Faraday Discussions · doi:10.1039/c6fd00117c · Cited by 62 · see citing works
Calculating excited state properties using Kohn-Sham density functional theory
Hanson‐Heine, M. W. D., George, M. W., & Besley, N. A. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4789813 · Cited by 60 · see citing works
Kolczewski, C., Püttner, R., Martins, M., Schlachter, A. S., Snell, G., Sant’Anna, M. M., Hermann, K., & Kaindl, G. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2139674 · Cited by 56 · see citing works
Cyclohexadiene Revisited: A Time-Resolved Photoelectron Spectroscopy and ab Initio Study
Schalk, O., Geng, T., Thompson, T., Baluyot, N., Thomas, R., Tapavicza, E., & Hansson, T. (2016) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.5b10928 · Cited by 56 · see citing works
Ou, Q., Fatehi, S., Alguire, E. C., Shao, Y., & Subotnik, J. E. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4887256 · Cited by 53 · see citing works
Kim, J., Tao, H., Martı́nez, T. J., & Bucksbaum, P. H. (2015) · Journal of Physics B Atomic Molecular and Optical Physics · doi:10.1088/0953-4075/48/16/164003 · Cited by 53 · see citing works
Zhang, X., Canton, S. E., Smolentsev, G. Y., Wallentin, C., Liu, Y., Kong, Q., Attenkofer, K., Stickrath, A. B., Mara, M. W., Chen, L. X., et al. (2014) · Journal of the American Chemical Society · doi:10.1021/ja5040733 · Cited by 48 · see citing works
Attar, A., Piticco, L., & Leone, S. R. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4898375 · Cited by 37 · see citing works
Self-citationA tabletop femtosecond time-resolved soft x-ray transient absorption spectrometer
Loh, Z.-H., Khalil, M., Correa, R. E., & Leone, S. R. (2008) · Review of Scientific Instruments · doi:10.1063/1.2947737 · Cited by 36 · see citing works
Self-citationRudakov, F. M., & Weber, P. M. (2009) · Chemical Physics Letters · doi:10.1016/j.cplett.2009.01.058 · Cited by 35 · see citing works
Lei, Y., Huiyu, W., Zheng, X., Zhai, G., & Zhu, C. (2015) · Journal of Photochemistry and Photobiology A Chemistry · doi:10.1016/j.jphotochem.2015.10.025 · Cited by 33 · see citing works
On the assignment of the carbon K-shell spectra of the methyl halides
Hitchcock, A. P., & Brion, C. E. (1979) · Journal of Electron Spectroscopy and Related Phenomena · doi:10.1016/0368-2048(79)85035-5 · Cited by 31 · see citing works
Chatterley, A. S., Lackner, F., Pemmaraju, C. D., Neumark, D. M., Leone, S. R., & Geßner, O. (2016) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.6b09724 · Cited by 18 · see citing works
Self-citationTeplyakov, A. V., Gurevich, A. B., Garland, E. R., Bent, B. E., & Chen, J. G. (1998) · Langmuir · doi:10.1021/la970731l · Cited by 17 · see citing works
Lackner, F., Chatterley, A. S., Pemmaraju, C. D., Closser, K. D., Prendergast, D., Neumark, D. M., Leone, S. R., & Geßner, O. (2016) · The Journal of Chemical Physics · doi:10.1063/1.4972258 · Cited by 16 · see citing works
Self-citationMcCusker, J. K. (2014) · Nature Physics · doi:10.1038/nphys3001 · Cited by 9 · see citing works
Flagged first, then by citations
Cited by
Sorted by citations
Spin-Vibronic Mechanism for Intersystem Crossing
Penfold, T. J., Gindensperger, E., Daniel, C., & Marian, C. M. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00617 · Cited by 991 · see citing works
Tunable isolated attosecond X-ray pulses with gigawatt peak power from a free-electron laser
Duris, J., Li, S., Driver, T., Champenois, E. G., MacArthur, J., Lutman, A. A., Zhang, Z., Rosenberger, P., Aldrich, J., Coffee, R., et al. (2019) · Nature Photonics · doi:10.1038/s41566-019-0549-5 · Cited by 496 · see citing works
53-attosecond X-ray pulses reach the carbon K-edge
Li, J., Ren, X., Yin, Y., Zhao, K., Chew, A., Cheng, Y., Cunningham, E., Wang, Y., Hu, S., Wu, Y., et al. (2017) · Nature Communications · doi:10.1038/s41467-017-00321-0 · Cited by 463 · see citing works
Ultrafast Spectroscopy: State of the Art and Open Challenges
Maiuri, M., Garavelli, M., & Cerullo, G. (2020) · Journal of the American Chemical Society · doi:10.1021/jacs.9b10533 · Cited by 460 · see citing works
Roadmap of ultrafast x-ray atomic and molecular physics
Young, L., Ueda, K., Gühr, M., Bucksbaum, P. H., Simon, M., Mukamel, S., Rohringer, N., Prince, K. C., Masciovecchio, C., Meyer, M., et al. (2018) · Journal of Physics B: Atomic, Molecular and Optical Physics · doi:10.1088/1361-6455/aa9735 · Cited by 337 · see citing works
Self-citationThe ultrafast X-ray spectroscopic revolution in chemical dynamics
Kraus, P. M., Zürch, M. W., Cushing, S. K., Neumark, D. M., & Leone, S. R. (2018) · Nature Reviews Chemistry · doi:10.1038/s41570-018-0008-8 · Cited by 329 · see citing works
Self-citationAttosecond science based on high harmonic generation from gases and solids
Li, J., Lu, J., Chew, A., Han, S., Li, J., Wu, Y., Wang, H., Ghimire, S., & Chang, Z. (2020) · Nature Communications · doi:10.1038/s41467-020-16480-6 · Cited by 333 · see citing works
The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction
Wolf, T., Sanchez, D. M., Yang, J., Parrish, R. M., Nunes, J. P. F., Centurion, M., Coffee, R., Cryan, J. P., Gühr, M., Hegazy, K., et al. (2019) · Nature Chemistry · doi:10.1038/s41557-019-0252-7 · Cited by 247 · see citing works
Charge migration and charge transfer in molecular systems
Wörner, H. J., Arrell, C., Banerji, N., Cannizzo, A., Chergui, M., Das, A. K., Hamm, P. M., Keller, U., Kraus, P. M., Liberatore, E., et al. (2017) · Structural Dynamics · doi:10.1063/1.4996505 · Cited by 241 · see citing works
Géneaux, R., Marroux, H. J. B., Guggenmos, A., Neumark, D. M., & Leone, S. R. (2019) · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rsta.2017.0463 · Cited by 225 · see citing works
Self-citationHigh-flux soft x-ray harmonic generation from ionization-shaped few-cycle laser pulses
Johnson, A. S., Austin, D. R., Wood, D., Brahms, C., Gregory, A., Holzner, K., Jarosch, S., Larsen, E. W., Parker, S., Strüber, C., et al. (2018) · Science Advances · doi:10.1126/sciadv.aar3761 · Cited by 197 · see citing works
Progress on table-top isolated attosecond light sources
Midorikawa, K. (2022) · Nature Photonics · doi:10.1038/s41566-022-00961-9 · Cited by 177 · see citing works
Multireference Electron Correlation Methods: Journeys along Potential Energy Surfaces
Park, J. W., Al-Saadon, R., MacLeod, M. K., Shiozaki, T., & Vlaisavljevich, B. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00496 · Cited by 155 · see citing works
Popmintchev, D., Galloway, B. R., Chen, M.-C., Dollar, F. J., Mancuso, C. A., Hankla, A., Miaja‐Avila, L., O’Neil, G. C., Shaw, J. M., Fan, G., et al. (2018) · Physical Review Letters · doi:10.1103/physrevlett.120.093002 · Cited by 158 · see citing works
Attosecond imaging of molecules using high harmonic spectroscopy
Peng, P., Marceau, C., & Villeneuve, D. M. (2019) · Nature Reviews Physics · doi:10.1038/s42254-018-0015-1 · Cited by 148 · see citing works
Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge
Zinchenko, K. S., Ardana‐Lamas, F., Seidu, I., Neville, S. P., van der Veen, J., Lanfaloni, V. U., Schuurman, M. S., & Wörner, H. J. (2021) · Science · doi:10.1126/science.abf1656 · Cited by 145 · see citing works
Varillas, R. B., Lucchini, M., & Nisoli, M. (2022) · Reports on Progress in Physics · doi:10.1088/1361-6633/ac5e7f · Cited by 145 · see citing works
Kowalewski, M., Fingerhut, B. P., Dorfman, K. E., Bennett, K., & Mukamel, S. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00081 · Cited by 143 · see citing works
Charge transfer of carbon nanomaterials for efficient metal‐free electrocatalysis
Paul, R., Zhai, Q., Roy, A. K., & Dai, L. (2022) · Interdisciplinary materials · doi:10.1002/idm2.12010 · Cited by 141 · see citing works
Hait, D., & Head‐Gordon, M. (2020) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.9b03661 · Cited by 136 · see citing works
Tunable isolated attosecond X-ray pulses with gigawatt peak power from a free-electron laser
Duris, J., Li, S., Driver, T., Champenois, E. G., MacArthur, J., Lutman, A. A., Zhang, Z., Rosenberger, P., Aldrich, J., Coffee, R., et al. (2020) · MPG.PuRe (Max Planck Society) · Cited by 128 · see citing works
Ultrafast X-Ray Spectroscopy of Conical Intersections
Neville, S. P., Chergui, M., Stolow, A., & Schuurman, M. S. (2018) · Physical Review Letters · doi:10.1103/physrevlett.120.243001 · Cited by 119 · see citing works
Modeling of the spectroscopy of core electrons with density functional theory
Besley, N. A. (2021) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1527 · Cited by 118 · see citing works
Saito, N., Sannohe, H., Ishii, N., Kanai, T., Kosugi, N., Wu, Y., Chew, A., Han, S., Chang, Z., & Itatani, J. (2019) · Optica · doi:10.1364/optica.6.001542 · Cited by 104 · see citing works
Bhattacherjee, A., Pemmaraju, C. D., Schnorr, K., Attar, A., & Leone, S. R. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b07532 · Cited by 99 · see citing works
Self-citationKleine, C., Ekimova, M., Goldsztejn, G., Raabe, S., Strüber, C., Ludwig, J., Yarlagadda, S., Eisebitt, S., Vrakking, M. J. J., Elsaesser, T., et al. (2018) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.8b03420 · Cited by 94 · see citing works
Timmers, H. R., Zhu, X., Li, Z., Kobayashi, Y., Sabbar, M., Hollstein, M., Reduzzi, M., Martı́nez, T. J., Neumark, D. M., & Leone, S. R. (2019) · Nature Communications · doi:10.1038/s41467-019-10789-7 · Cited by 94 · see citing works
Self-citationUltrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping
Polyak, I., Hutton, L., Crespo‐Otero, R., Barbatti, M., & Knowles, P. J. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00396 · Cited by 88 · see citing works
Attosecond light sources in the water window
Ren, X., Li, J., Yin, Y., Zhao, K., Chew, A., Wang, Y., Hu, S., Cheng, Y., Cunningham, E. F., Wu, Y., et al. (2017) · Journal of Optics · doi:10.1088/2040-8986/aaa394 · Cited by 86 · see citing works
Bhattacherjee, A., & Leone, S. R. (2018) · Accounts of Chemical Research · doi:10.1021/acs.accounts.8b00462 · Cited by 83 · see citing works
Self-citation27 W 2.1 µm OPCPA system for coherent soft X-ray generation operating at 10 kHz
Feng, T., Heilmann, A., Böck, M., Ehrentraut, L., Witting, T., Yu, H., Stiel, H., Eisebitt, S., & Schnürer, M. (2020) · Optics Express · doi:10.1364/oe.386588 · Cited by 81 · see citing works
Pathak, S., Ibele, L. M., Boll, R., Callegari, C., Demidovich, A. A., Erk, B., Feifel, R., Forbes, R., Fraia, M. D., Giannessi, L., et al. (2020) · Nature Chemistry · doi:10.1038/s41557-020-0507-3 · Cited by 80 · see citing works
von Conta, A., Tehlar, A., Schletter, A., Arasaki, Y., Takatsuka, K., & Wörner, H. J. (2018) · Nature Communications · doi:10.1038/s41467-018-05292-4 · Cited by 80 · see citing works
Rankine, C. D., & Penfold, T. J. (2021) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c11267 · Cited by 78 · see citing works
Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
Mayer, D., Lever, F., Picconi, D., Metje, J., Ališauskas, S., Calegari, F., Düsterer, S., Ehlert, C., Feifel, R., Niebuhr, M., et al. (2022) · Nature Communications · doi:10.1038/s41467-021-27908-y · Cited by 81 · see citing works
Observation of the molecular response to light upon photoexcitation
Yong, H., Zotev, N., Ruddock, J. M., Stankus, B., Simmermacher, M., Carrascosa, A. M., Du, W., Goff, N., Chang, Y. C., Bellshaw, D., et al. (2020) · Nature Communications · doi:10.1038/s41467-020-15680-4 · Cited by 75 · see citing works
Conti, I., Cerullo, G., Nenov, A., & Garavelli, M. (2020) · Journal of the American Chemical Society · doi:10.1021/jacs.0c04952 · Cited by 76 · see citing works
Chang, K. F., Reduzzi, M., Wang, H., Poullain, S. M., Kobayashi, Y., Barreau, L., Prendergast, D., Neumark, D. M., & Leone, S. R. (2020) · Nature Communications · doi:10.1038/s41467-020-17745-w · Cited by 69 · see citing works
Self-citationWei, Z., Li, J., Wang, L., See, S. T., Jhon, M. H., Zhang, Y., Shi, F., Yang, M., & Loh, Z.-H. (2017) · Nature Communications · doi:10.1038/s41467-017-00848-2 · Cited by 69 · see citing works
Chemical dynamics from the gas‐phase to surfaces
Auerbach, D. J., Tully, J. C., & Wodtke, A. M. (2021) · Natural Sciences · doi:10.1002/ntls.10005 · Cited by 69 · see citing works
Femtosecond Soft-X-ray Absorption Spectroscopy of Liquids with a Water-Window High-Harmonic Source
Smith, A. D., Balčiūnas, T., Chang, Y., Schmidt, C., Zinchenko, K. S., Nunes, F. B., Rossi, E., Svoboda, V., Yin, Z., Wolf, J., et al. (2020) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.9b03559 · Cited by 67 · see citing works
Attosecond technology(ies) and science
Biegert, J., Calegari, F., Dudovich, N., Quéré, F., & Vrakking, M. J. J. (2021) · Journal of Physics B Atomic Molecular and Optical Physics · doi:10.1088/1361-6455/abcdef · Cited by 67 · see citing works
Fransson, T., Brumboiu, I. E., Vidal, M. L., Norman, P., Coriani, S., & Dreuw, A. (2021) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.0c01082 · Cited by 65 · see citing works
Dispersive soft x-ray absorption fine-structure spectroscopy in graphite with an attosecond pulse
Buades, B., Moonshiram, D., Sidiropoulos, T. P. H., León, Í., Schmidt, P. C., Pi-Jaumà, I., Palo, N. D., Cousin, S. L., Picón, A., Koppens, F. H. L., et al. (2018) · Optica · doi:10.1364/optica.5.000502 · Cited by 65 · see citing works
Keefer, D., Schnappinger, T., de Vivie‐Riedle, R., & Mukamel, S. (2020) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2015988117 · Cited by 64 · see citing works
Femtosecond proton transfer in urea solutions probed by X-ray spectroscopy
Yin, Z., Chang, Y., Balčiūnas, T., Shakya, Y., Djorović, A., Gaulier, G., Fazio, G., Santra, R., Inhester, L., Wolf, J., et al. (2023) · Nature · doi:10.1038/s41586-023-06182-6 · Cited by 63 · see citing works
Boeije, Y., & Olivucci, M. (2023) · Chemical Society Reviews · doi:10.1039/d2cs00719c · Cited by 63 · see citing works
X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation
Scutelnic, V., Tsuru, S., Pápai, M., Yang, Z., Epshtein, M., Xue, T., Haugen, E. A., Kobayashi, Y., Krylov, A. I., Møller, K. B., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-25045-0 · Cited by 61 · see citing works
Self-citationDriver, T., Li, S., Champenois, E. G., Duris, J., Ratner, D. F., Lane, T. J., Rosenberger, P., Al-Haddad, A., Averbukh, V., Barnard, T., et al. (2019) · Physical Chemistry Chemical Physics · doi:10.1039/c9cp03951a · Cited by 57 · see citing works
Imaging the Renner–Teller effect using laser-induced electron diffraction
Amini, K., Sclafani, M., Steinle, T. R. J., Le, A.-T., Sanchez, A., Müller, C., Steinmetzer, J., Yue, L., Saavedra, J. R. M., Hemmer, M., et al. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1817465116 · Cited by 56 · see citing works
Correlated Materials Characterization via Multimodal Chemical and Functional Imaging
Belianinov, A., Ievlev, A. V., Lorenz, M., Borodinov, N., Doughty, B., Kalinin, S. V., Fernández, F. M., & Ovchinnikova, O. S. (2018) · ACS Nano · doi:10.1021/acsnano.8b07292 · Cited by 54 · see citing works
Barreau, L., Ross, A. D., Garg, S., Kraus, P. M., Neumark, D. M., & Leone, S. R. (2020) · Scientific Reports · doi:10.1038/s41598-020-62461-6 · Cited by 53 · see citing works
Self-citationOpen questions in attochemistry
Calegari, F., & Martı́n, F. (2023) · Communications Chemistry · doi:10.1038/s42004-023-00989-0 · Cited by 54 · see citing works
Vidal, M. L., Epshtein, M., Scutelnic, V., Yang, Z., Xue, T., Leone, S. R., Krylov, A. I., & Coriani, S. (2020) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c08732 · Cited by 54 · see citing works
Self-citationMapping the Complete Reaction Path of a Complex Photochemical Reaction
Smith, A. D., Warne, E. M., Bellshaw, D., Horke, D. A., Tudorovskya, M., Springate, E., Jones, A. J. H., Cacho, C., Chapman, R. T., Kirrander, A., et al. (2018) · Physical Review Letters · doi:10.1103/physrevlett.120.183003 · Cited by 52 · see citing works
Garratt, D., Misiekis, L., Wood, D., Larsen, E. W., Matthews, M., Alexander, O., Ye, P., Jarosch, S., Ferchaud, C., Strüber, C., et al. (2022) · Nature Communications · doi:10.1038/s41467-022-31008-w · Cited by 51 · see citing works
Attosecond transient absorption spectrum of argon at the L2,3 edge
Chew, A., Douguet, N., Cariker, C., Li, J., Lindroth, E., Ren, X., Yin, Y., Argenti, L., Hill, W. T., & Chang, Z. (2018) · Physical Review A · doi:10.1103/physreva.97.031407 · Cited by 50 · see citing works
Skomorowski, W., & Krylov, A. I. (2021) · The Journal of Chemical Physics · doi:10.1063/5.0036976 · Cited by 50 · see citing works
Zhu, Y., & Herbert, J. M. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5004675 · Cited by 49 · see citing works
Bhattacherjee, A., Schnorr, K., Oesterling, S., Yang, Z., Xue, T., de Vivie‐Riedle, R., & Leone, S. R. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.8b07155 · Cited by 49 · see citing works
Self-citationRelativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level Spectroscopy
Cunha, L. A., Hait, D., Kang, R., Mao, Y., & Head‐Gordon, M. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c00578 · Cited by 49 · see citing works
Hait, D., Haugen, E. A., Yang, Z., Oosterbaan, K. J., Leone, S. R., & Head‐Gordon, M. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0018833 · Cited by 48 · see citing works
Self-citationTsuru, S., Vidal, M. L., Pápai, M., Krylov, A. I., Møller, K. B., & Coriani, S. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5115154 · Cited by 45 · see citing works
Callegari, C., Grum-Grzhimailo, A. N., Ishikawa, K. L., Prince, K. C., Sansone, G., & Ueda, K. (2021) · Physics Reports · doi:10.1016/j.physrep.2020.12.002 · Cited by 51 · see citing works
Shepard, C., Zhou, R., Yost, D. C., Yao, Y., & Kanai, Y. (2021) · The Journal of Chemical Physics · doi:10.1063/5.0057587 · Cited by 47 · see citing works
He, Q., Qiao, S., Zhou, Y., Vajtai, R., Li, D., Ajayan, P. M., Ci, L., & Song, L. (2021) · Advanced Functional Materials · doi:10.1002/adfm.202106684 · Cited by 46 · see citing works
Karashima, S., Humeniuk, A., Uenishi, R., Horio, T., Kanno, M., Ohta, T., Nishitani, J., Mitrić, R., & Suzuki, T. (2021) · Journal of the American Chemical Society · doi:10.1021/jacs.1c01896 · Cited by 44 · see citing works
Ultrafast dynamics of correlation bands following XUV molecular photoionization
Hervé, M., Despré, V., Nash, P. C., Loriot, V., Boyer, A., Scognamiglio, A., Καρράς, Γ., Brédy, R., Constant, E., Tielens, A. G. G. M., et al. (2020) · Nature Physics · doi:10.1038/s41567-020-01073-3 · Cited by 43 · see citing works
A theoretical and experimental benchmark study of core-excited states in nitrogen
Myhre, R. H., Wolf, T., Cheng, L., Nandi, S., Coriani, S., Gühr, M., & Henrik Koch, A. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5011148 · Cited by 42 · see citing works
Ultrafast molecular photophysics in the deep-ultraviolet
Chergui, M. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5082644 · Cited by 42 · see citing works
Exploring the Dynamics of the Photoinduced Ring-Opening of Heterocyclic Molecules
Ashfold, M. N. R., Bain, M., Hansen, C. S., Ingle, R. A., Karsili, T. N. V., Marchetti, B., & Murdock, D. (2017) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.7b01219 · Cited by 39 · see citing works
Leitner, T., Josefsson, I., Mazza, T., Miedema, P. S., Schröder, H., Beye, M., Kunnus, K., Schreck, S., Düsterer, S., Föhlisch, A., et al. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5035149 · Cited by 38 · see citing works
X-ray Raman scattering: a building block for nonlinear spectroscopy
Rohringer, N. (2019) · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rsta.2017.0471 · Cited by 41 · see citing works
Reduction of carbon dioxide on photoexcited nanoparticles of VIII group metals
Dai, X., & Sun, Y. (2019) · Nanoscale · doi:10.1039/c9nr05971g · Cited by 40 · see citing works
Attosecond pulse generation at ELI-ALPS 100 kHz repetition rate beamline
Ye, P., Csizmadia, T., Oldal, L. G., Gopalakrishna, H. N., Füle, M., Filus, Z., Nagyillés, B., Divéki, Z., Grósz, T., Dumergue, M., et al. (2020) · Journal of Physics B Atomic Molecular and Optical Physics · doi:10.1088/1361-6455/ab92bf · Cited by 39 · see citing works
Time Resolved Photoelectron Spectroscopy as a Test of Electronic Structure and Nonadiabatic Dynamics
Chakraborty, P., Liu, Y., McClung, S., Weinacht, T. C., & Matsika, S. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.1c00926 · Cited by 39 · see citing works
Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics
Xu, J., Carney, T. E., Zhou, R., Shepard, C., & Kanai, Y. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.3c08226 · Cited by 38 · see citing works
Symmetry of molecular Rydberg states revealed by XUV transient absorption spectroscopy
Peng, P., Marceau, C., Hervé, M., Corkum, P. B., Naumov, A. Y., & Villeneuve, D. M. (2019) · Nature Communications · doi:10.1038/s41467-019-13251-w · Cited by 38 · see citing works
Giant Isolated Attosecond Pulses from Two-Color Laser-Plasma Interactions
Zhang, Y., Rykovanov, S. G., Shi, M., Zhong, C. L., He, X. T., Qiao, B., & Zepf, M. (2020) · Physical Review Letters · doi:10.1103/physrevlett.124.114802 · Cited by 39 · see citing works
Table-Top X-ray Spectroscopy of Benzene Radical Cation
Epshtein, M., Scutelnic, V., Yang, Z., Xue, T., Vidal, M. L., Krylov, A. I., Coriani, S., & Leone, S. R. (2020) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c08736 · Cited by 39 · see citing works
Self-citationHait, D., Haugen, E. A., Yang, Z., Oosterbaan, K. J., Leone, S. R., & Head‐Gordon, M. (2020) · eScholarship (California Digital Library) · Cited by 38 · see citing works
Self-citationTransient X-ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil
Hua, W., Mukamel, S., & Luo, Y. (2019) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.9b02692 · Cited by 37 · see citing works
Panman, M. R., Biasin, E., Berntsson, O., Hermann, M., Niebling, S., Hughes, A. J., Kübel, J., Atkovska, K., Gustavsson, E., Nimmrich, A., et al. (2020) · Physical Review Letters · doi:10.1103/physrevlett.125.226001 · Cited by 37 · see citing works
Segatta, F., Nenov, A., Orlandi, S., Arcioni, A., Mukamel, S., & Garavelli, M. (2019) · Faraday Discussions · doi:10.1039/c9fd00073a · Cited by 36 · see citing works
Single-Molecule Observation of the Intermediates in a Catalytic Cycle
Ramsay, W. J., Bell, N. A. W., Qing, Y., & Bayley, H. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.8b09282 · Cited by 35 · see citing works
Kleine, C., Winghart, M., Zhang, Z.-Y., Richter, M., Ekimova, M., Eckert, S., Vrakking, M. J. J., Nibbering, E. T. J., Rouzée, A., & Grant, E. R. (2022) · Physical Review Letters · doi:10.1103/physrevlett.129.123002 · Cited by 35 · see citing works
Kubin, M., Guo, M., Ekimova, M., Baker, M. L., Kröll, T., Källman, E., Kern, J. F., Yachandra, V. K., Yano, J., Nibbering, E. T. J., et al. (2018) · Inorganic Chemistry · doi:10.1021/acs.inorgchem.8b00419 · Cited by 34 · see citing works
Biswas, S., Husek, J., & Baker, L. R. (2018) · Chemical Communications · doi:10.1039/c8cc01745j · Cited by 34 · see citing works
Montorsi, F., Segatta, F., Nenov, A., Mukamel, S., & Garavelli, M. (2022) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.1c00566 · Cited by 33 · see citing works
Ehlert, C., Gühr, M., & Saalfrank, P. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5050488 · Cited by 32 · see citing works
Propagation of maximally localized Wannier functions in real-time TDDFT
Yost, D. C., Yao, Y., & Kanai, Y. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5095631 · Cited by 32 · see citing works
Chang, K. F., Wang, H., Poullain, S. M., Prendergast, D., Neumark, D. M., & Leone, S. R. (2021) · The Journal of Chemical Physics · doi:10.1063/5.0056299 · Cited by 32 · see citing works
Self-citationTudorovskaya, M., Minns, R. S., & Kirrander, A. (2018) · Physical Chemistry Chemical Physics · doi:10.1039/c8cp02397b · Cited by 32 · see citing works
Severino, S., Ziems, K. M., Reduzzi, M., Summers, A. M., Sun, H.-W., Chien, Y.-H., Gräfe, S., & Biegert, J. (2024) · Nature Photonics · doi:10.1038/s41566-024-01436-9 · Cited by 30 · see citing works
Pump-Probe Ghost Imaging with SASE FELs
Ratner, D. F., Cryan, J. P., Lane, T. J., Li, S., & Stupakov, G. V. (2019) · Physical Review X · doi:10.1103/physrevx.9.011045 · Cited by 30 · see citing works
Attosecond soft X-ray high harmonic generation
Johnson, A. S., Avni, T., Larsen, E. W., Austin, D. R., & Marangos, J. P. (2019) · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rsta.2017.0468 · Cited by 30 · see citing works
Tsuru, S., Vidal, M. L., Pápai, M., Krylov, A. I., Møller, K. B., & Coriani, S. (2021) · Structural Dynamics · doi:10.1063/4.0000070 · Cited by 31 · see citing works
Extension of water-window harmonic cutoff by laser defocusing-assisted phase matching
Jin, C., Chen, M.-C., Sun, H.-W., & Lin, C. D. (2018) · Optics Letters · doi:10.1364/ol.43.004433 · Cited by 29 · see citing works
Spin-optotronic Properties of Organometal Halide Perovskites
Ping, Y., & Zhang, J. Z. (2018) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.8b02498 · Cited by 29 · see citing works
Hekele, J., Yao, Y., Kanai, Y., Blüm, V., & Kratzer, P. (2021) · The Journal of Chemical Physics · doi:10.1063/5.0066753 · Cited by 29 · see citing works
- Authors
- Attar, A. R., Bhattacherjee, A., Pemmaraju, C. D., Schnorr, K., Closser, K. D., Prendergast, D., & Leone, S. R.
- Affiliations
- Lawrence Berkeley National Laboratory (US)
- Corresponding author
- Leone, Stephen R.
- ORCID
- Venue
- Science
- Published
- 2017-04-07
- Volume
- 356
- Issue
- 6333
- Pages
- 54-59
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2604515236
- Cited by
- 338
- References
- 63
- Citations by year
- 2026: 21 · 2025: 21 · 2024: 31 · 2023: 30 · 2022: 38 · 2021: 51 · 2020: 51 · 2019: 40 · 2018: 42 · 2017: 12
- FWCI
- 19.46
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Science (publishedVersion)
- PubMed (publishedVersion)
- eScholarship (California Digital Library) (submittedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- Funders
- National Science Foundation (award299191, EEC-0310717)
- U.S. Department of Energy (award299187, DE-AC02-05CH11231, award302135, DE-AC02-76SF00515)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Laser-Matter Interactions and Applications
- Physical Sciences › Physics and Astronomy › Radiation › X-ray Spectroscopy and Fluorescence Analysis
- Physical Sciences › Physics and Astronomy › Radiation › Advanced X-ray Imaging Techniques
- Keywords
- electrocyclic ring opening, 1,3-cyclohexadiene, valence electronic structure, carbon K-edge, nonadiabatic relaxation, femtosecond dynamics
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
