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245 | _ | _ | |a Symmetry-breaking dynamics of a photoionized carbon dioxide dimer |
260 | _ | _ | |a [London] |c 2024 |b Nature Publishing Group UK |
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520 | _ | _ | |a Photoionization can initiate structural reorganization of molecular matter and drive formation of new chemical bonds. Here, we used time-resolved extreme ultraviolet (EUV) pump – EUV probe Coulomb explosion imaging of carbon dioxide dimer ion $(CO_2)_2^+$dynamics, that combined with ab initio molecular dynamics simulations, revealed unexpected asymmetric structural rearrangement. We show that ionization by the pump pulse induces rearrangement from the slipped-parallel (C$_{2h}$) geometry of the neutral $CO_2$ dimer towards a T-shaped (C$_{2v}$) structure on the ~100 fs timescale, although the most stable slipped-parallel (C$_{2h}$) structure of the ionic dimer. Moreover, we find that excited states of the ionized $CO_2$ dimer can exhibit formation of a $CO_3$ moiety in the $CO_2O_4^+$ complex that can persist even after a suitably time-delayed second photoionization in a metastable $CO_2O_4^+$ dication. Our results suggest that charge asymmetry plays an important role in the ionization-induced dynamics in such dimers that are present in $C_2$ rich environments. |
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999 | C | 5 | |a 10.1002/ange.202218770 |9 -- missing cx lookup -- |2 Crossref |u Licht, O. et al. Peptide bond formation in the protonated serine dimer following vacuum UV photon‐induced excitation. Angew. Chemie 135, 202218770 (2023). |
999 | C | 5 | |a 10.1073/pnas.1616464114 |9 -- missing cx lookup -- |1 T Stein |p E4125 - |2 Crossref |u Stein, T. et al. Ab initio dynamics and photoionization mass spectrometry reveal ion–molecule pathways from ionized acetylene clusters to benzene cation. Proc. Natl Acad. Sci. 114, E4125–E4133 (2017). |t Proc. Natl Acad. Sci. |v 114 |y 2017 |
999 | C | 5 | |a 10.1073/pnas.2101371118 |9 -- missing cx lookup -- |1 J Jose |p 1 - |2 Crossref |u Jose, J., Zamir, A. & Stein, T. Molecular dynamics reveals formation path of benzonitrile and other molecules in conditions relevant to the interstellar medium. Proc. Natl Acad. Sci. 118, 1–7 (2021). |t Proc. Natl Acad. Sci. |v 118 |y 2021 |
999 | C | 5 | |a 10.1039/C7CP02233F |9 -- missing cx lookup -- |1 MC Castrovilli |p 19807 - |2 Crossref |u Castrovilli, M. C. et al. Fragmentation of pure and hydrated clusters of 5Br-uracil by low energy carbon ions: observation of hydrated fragments. Phys. Chem. Chem. Phys. 19, 19807–19814 (2017). |t Phys. Chem. Chem. Phys. |v 19 |y 2017 |
999 | C | 5 | |a 10.1039/D2PY01258H |9 -- missing cx lookup -- |1 F Siragusa |p 1164 - |2 Crossref |u Siragusa, F., Detrembleur, C. & Grignard, B. The advent of recyclable CO2 -based polycarbonates. Polym. Chem. 14, 1164–1183 (2023). |t Polym. Chem. |v 14 |y 2023 |
999 | C | 5 | |a 10.1002/ange.202116066 |9 -- missing cx lookup -- |2 Crossref |u Ngassam Tounzoua, C., Grignard, B. & Detrembleur, C. Exovinylene cyclic carbonates: Multifaceted CO2 ‐based building blocks for modern chemistry and polymer science. Angew. Chemie 134, e202116066 (2022). |
999 | C | 5 | |a 10.1080/00268976.2010.496742 |9 -- missing cx lookup -- |1 M Dehghany |p 2195 - |2 Crossref |u Dehghany, M., McKellar, A. R. W., Afshari, M. & Moazzen-Ahmadi, N. High-resolution infrared spectroscopy of carbon dioxide dimers, trimers, and larger clusters. Mol. Phys. 108, 2195–2205 (2010). |t Mol. Phys. |v 108 |y 2010 |
999 | C | 5 | |a 10.1063/1.3653230 |9 -- missing cx lookup -- |1 JD McMahon |p 154309 - |2 Crossref |u McMahon, J. D. & Lane, J. R. Explicit correlation and basis set superposition error: The structure and energy of carbon dioxide dimer. J. Chem. Phys. 135, 154309 (2011). |t J. Chem. Phys. |v 135 |y 2011 |
999 | C | 5 | |a 10.1021/j100297a007 |9 -- missing cx lookup -- |1 AJ Illies |p 3489 - |2 Crossref |u Illies, A. J., McKee, M. L. & Schlegel, H. B. Ab initio study of the carbon dioxide dimer and the carbon dioxide ion complexes [(CO2)2+ and (CO2)3+]. J. Phys. Chem. 91, 3489–3494 (1987). |t J. Phys. Chem. |v 91 |y 1987 |
999 | C | 5 | |a 10.1002/anie.200704286 |9 -- missing cx lookup -- |1 J Roithová |p 9316 - |2 Crossref |u Roithová, J., Ricketts, C. L., Schröder, D. & Price, S. D. Bond formation with maintenance of twofold charge: Generation of C2O32+ in the reaction of CO22+ with CO2. Angew Chem. Int. Ed. 46, 9316–9319 (2007). |t Angew Chem. Int. Ed. |v 46 |y 2007 |
999 | C | 5 | |a 10.1021/jp1020559 |9 -- missing cx lookup -- |1 F Feixas |p 6681 - |2 Crossref |u Feixas, F. et al. Bonding analysis of the [C2O4] 2+ intermediate formed in the reaction of CO22+ with neutral CO2. J. Phys. Chem. A 114, 6681–6688 (2010). |t J. Phys. Chem. A |v 114 |y 2010 |
999 | C | 5 | |a 10.1029/2022JE007456 |9 -- missing cx lookup -- |2 Crossref |u Graham, R. J., Lichtenberg, T. & Pierrehumbert, R. T. CO2 ocean bistability on terrestrial exoplanets. J. Geophys. Res. Planets 127, e2022JE007456 (2022). |
999 | C | 5 | |a 10.1016/0022-4073(88)90111-2 |9 -- missing cx lookup -- |1 K Fox |p 177 - |2 Crossref |u Fox, K. & Kim, S. J. Spectra of van der Waals complexes (dimers) with applications to planetary atmospheres. J. Quant. Spectrosc. Radiat. Transf. 40, 177–184 (1988). |t J. Quant. Spectrosc. Radiat. Transf. |v 40 |y 1988 |
999 | C | 5 | |a 10.1126/sciadv.adg7864 |9 -- missing cx lookup -- |1 K Schnorr |p eadg7864 - |2 Crossref |u Schnorr, K. et al. Direct tracking of ultrafast proton transfer in water dimers. Sci. Adv. 9, eadg7864 (2023). |t Sci. Adv. |v 9 |y 2023 |
999 | C | 5 | |a 10.1039/C9CP02908G |9 -- missing cx lookup -- |1 K Gope |p 13730 - |2 Crossref |u Gope, K., Luzon, I. & Strasser, D. N–NO & NN–O bond cleavage dynamics in two- and three-body Coulomb explosion of the N2O2+ dication. Phys. Chem. Chem. Phys. 21, 13730–13737 (2019). |t Phys. Chem. Chem. Phys. |v 21 |y 2019 |
999 | C | 5 | |a 10.1021/acs.jpclett.9b00576 |9 -- missing cx lookup -- |1 I Luzon |p 1361 - |2 Crossref |u Luzon, I., Livshits, E., Gope, K., Baer, R. & Strasser, D. Making sense of coulomb explosion imaging. J. Phys. Chem. Lett. 10, 1361–1367 (2019). |t J. Phys. Chem. Lett. |v 10 |y 2019 |
999 | C | 5 | |a 10.1126/science.244.4903.426 |9 -- missing cx lookup -- |1 Z Vager |p 426 - |2 Crossref |u Vager, Z., Naaman, R. & Kanter, E. P. Coulomb explosion imaging of small molecules. Science 244, 426–431 (1989). |t Science |v 244 |y 1989 |
999 | C | 5 | |a 10.1103/PhysRevA.106.023109 |1 P Song |9 -- missing cx lookup -- |2 Crossref |u Song, P. et al. Dissociative multiple ionization of carbon dioxide dimers in intense femtosecond laser fields. Phys. Rev. A 106, 023109 (2022). |t Phys. Rev. A |v 106 |y 2022 |
999 | C | 5 | |a 10.1038/s42004-020-0294-1 |9 -- missing cx lookup -- |1 E Livshits |p 49 - |2 Crossref |u Livshits, E., Luzon, I., Gope, K., Baer, R. & Strasser, D. Time-resolving the ultrafast H2 roaming chemistry and H3+ formation using extreme-ultraviolet pulses. Commun. Chem. 3, 49 (2020). |t Commun. Chem. |v 3 |y 2020 |
999 | C | 5 | |a 10.1107/S1600577519002236 |9 -- missing cx lookup -- |1 G Schmid |p 854 - |2 Crossref |u Schmid, G. et al. Reaction microscope endstation at FLASH2. J. Synchrotron Radiat. 26, 854–867 (2019). |t J. Synchrotron Radiat. |v 26 |y 2019 |
999 | C | 5 | |a 10.1063/5.0098531 |9 -- missing cx lookup -- |1 DM Bittner |p 074309 - |2 Crossref |u Bittner, D. M., Gope, K., Livshits, E., Baer, R. & Strasser, D. Sequential and concerted C-C and C-O bond dissociation in the Coulomb explosion of 2-propanol. J. Chem. Phys. 157, 074309 (2022). |t J. Chem. Phys. |v 157 |y 2022 |
999 | C | 5 | |a 10.1039/D2CP03632K |9 -- missing cx lookup -- |1 K Gope |p 6979 - |2 Crossref |u Gope, K., Bittner, D. M. & Strasser, D. Sequential mechanism in H 3 + formation dynamics on the ethanol dication. Phys. Chem. Chem. Phys. 25, 6979–6986 (2023). |t Phys. Chem. Chem. Phys. |v 25 |y 2023 |
999 | C | 5 | |a 10.1021/acs.jpclett.0c02445 |9 -- missing cx lookup -- |1 K Gope |p 8108 - |2 Crossref |u Gope, K., Livshits, E., Bittner, D. M., Baer, R. & Strasser, D. Absence of triplets in single-photon double ionization of methanol. J. Phys. Chem. Lett. 11, 8108–8113 (2020). |t J. Phys. Chem. Lett. |v 11 |y 2020 |
999 | C | 5 | |a 10.1063/5.0028812 |9 -- missing cx lookup -- |2 Crossref |u Bittner, D. M., Gope, K. & Strasser, D. Time-resolved dissociative ionization and double photoionization of CO2. J. Chem. Phys. 153, (2020). |
999 | C | 5 | |a 10.1039/b617919c |9 -- missing cx lookup -- |1 E Livshits |p 2932 - |2 Crossref |u Livshits, E. & Baer, R. A well-tempered density functional theory of electrons in molecules. Phys. Chem. Chem. Phys. 9, 2932 (2007). |t Phys. Chem. Chem. Phys. |v 9 |y 2007 |
999 | C | 5 | |a 10.1146/annurev.physchem.012809.103321 |9 -- missing cx lookup -- |1 R Baer |p 85 - |2 Crossref |u Baer, R., Livshits, E. & Salzner, U. Tuned range-separated hybrids in density functional theory. Annu. Rev. Phys. Chem. 61, 85–109 (2010). |t Annu. Rev. Phys. Chem. |v 61 |y 2010 |
999 | C | 5 | |a 10.1080/00268976.2014.952696 |9 -- missing cx lookup -- |1 Y Shao |p 184 - |2 Crossref |u Shao, Y. et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Mol. Phys. 113, 184–215 (2015). |t Mol. Phys. |v 113 |y 2015 |
999 | C | 5 | |a 10.1021/acs.jpclett.9b00981 |9 -- missing cx lookup -- |1 H-H Teh |p 3426 - |2 Crossref |u Teh, H.-H. & Subotnik, J. E. The simplest possible approach for simulating S 0 – S 1 conical intersections with DFT/TDDFT: Adding one doubly excited configuration. J. Phys. Chem. Lett. 10, 3426–3432 (2019). |t J. Phys. Chem. Lett. |v 10 |y 2019 |
999 | C | 5 | |a 10.1063/1.459170 |9 -- missing cx lookup -- |1 JC Tully |p 1061 - |2 Crossref |u Tully, J. C. Molecular dynamics with electronic transitions. J. Chem. Phys. 93, 1061–1071 (1990). |t J. Chem. Phys. |v 93 |y 1990 |
999 | C | 5 | |a 10.1126/science.1194237 |9 -- missing cx lookup -- |1 R Vaidhyanathan |p 650 - |2 Crossref |u Vaidhyanathan, R. et al. Direct observation and quantification of CO2 binding within an amine-functionalized nanoporous solid. Science 330, 650–653 (2010). |t Science |v 330 |y 2010 |
999 | C | 5 | |a 10.1021/ja105211w |9 -- missing cx lookup -- |1 H Kim |p 12200 - |2 Crossref |u Kim, H. et al. Highly selective carbon dioxide sorption in an organic molecular porous material. J. Am. Chem. Soc. 132, 12200–12202 (2010). |t J. Am. Chem. Soc. |v 132 |y 2010 |
999 | C | 5 | |a 10.1039/C8CP07068G |9 -- missing cx lookup -- |1 Y Nakashima |p 3083 - |2 Crossref |u Nakashima, Y. et al. Visible photodissociation of the CO2 dimer cation: Fast and slow dissociation dynamics in the excited state. Phys. Chem. Chem. Phys. 21, 3083–3091 (2019). |t Phys. Chem. Chem. Phys. |v 21 |y 2019 |
999 | C | 5 | |a 10.1063/5.0045402 |9 -- missing cx lookup -- |2 Crossref |u Kanno, M., Maeda, T., Nakashima, Y., Misaizu, F. & Kono, H. A fast and robust trajectory surface hopping method: Application to the intermolecular photodissociation of a carbon dioxide dimer cation (CO2)2+. J. Chem. Phys. 154, 164108 (2021). |
999 | C | 5 | |a 10.1126/science.adk1950 |9 -- missing cx lookup -- |1 A Bogot |p 285 - |2 Crossref |u Bogot, A. et al. The mutual neutralization of hydronium and hydroxide. Science 383, 285–289 (2024). |t Science |v 383 |y 2024 |
999 | C | 5 | |a 10.1088/1742-6596/1412/12/122028 |9 -- missing cx lookup -- |1 A Shahi |p 122028 - |2 Crossref |u Shahi, A. et al. Hybrid Electrostatic Ion Beam Trap (HEIBT): design and simulation of ion-ion and ion-neutral low-energy collisions and ion-laser photoreactions. J. Phys. Conf. Ser. 1412, 122028 (2020). |t J. Phys. Conf. Ser. |v 1412 |y 2020 |
999 | C | 5 | |a 10.1039/D3CP03633B |9 -- missing cx lookup -- |1 A Bogot |p 25701 - |2 Crossref |u Bogot, A., Lioubashevski, O., Heber, O., Zajfman, D. & Strasser, D. Simultaneous electrostatic trapping of merged cation & anion beams. Phys. Chem. Chem. Phys. 25, 25701–25710 (2023). |t Phys. Chem. Chem. Phys. |v 25 |y 2023 |
999 | C | 5 | |a 10.1038/s41467-021-26899-0 |1 M Gatchell |9 -- missing cx lookup -- |2 Crossref |u Gatchell, M. et al. Survival of polycyclic aromatic hydrocarbon knockout fragments in the interstellar medium. Nat. Commun. 12, 6646 (2021). |t Nat. Commun. |v 12 |y 2021 |
999 | C | 5 | |a 10.1126/science.1187191 |9 -- missing cx lookup -- |1 H Kreckel |p 69 - |2 Crossref |u Kreckel, H. et al. Experimental Results for H 2 Formation from H − and H and Implications for First Star Formation. Science 329, 69–71 (2010). |t Science |v 329 |y 2010 |
999 | C | 5 | |a 10.1002/wcms.1331 |9 -- missing cx lookup -- |1 T Shiozaki |p 1 - |2 Crossref |u Shiozaki, T. BAGEL: Brilliantly advanced general electronic‐structure library. WIREs Comput. Mol. Sci. 8, 1–7 (2018). |t WIREs Comput. Mol. Sci. |v 8 |y 2018 |
999 | C | 5 | |a 10.1016/S0009-2614(98)00252-8 |9 -- missing cx lookup -- |1 J Finley |p 299 - |2 Crossref |u Finley, J., Malmqvist, P.-Å., Roos, B. O. & Serrano-Andrés, L. The multi-state CASPT2 method. Chem. Phys. Lett. 288, 299–306 (1998). |t Chem. Phys. Lett. |v 288 |y 1998 |
999 | C | 5 | |a 10.1021/acs.jctc.6b00572 |9 -- missing cx lookup -- |1 B Vlaisavljevich |p 3781 - |2 Crossref |u Vlaisavljevich, B. & Shiozaki, T. Nuclear energy gradients for internally contracted complete active space second-order perturbation theory: Multistate extensions. J. Chem. Theory Comput. 12, 3781–3787 (2016). |t J. Chem. Theory Comput. |v 12 |y 2016 |
999 | C | 5 | |a 10.1002/wcms.1158 |9 -- missing cx lookup -- |1 M Barbatti |p 26 - |2 Crossref |u Barbatti, M. et al. Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics. WIREs Comput. Mol. Sci. 4, 26–33 (2014). |t WIREs Comput. Mol. Sci. |v 4 |y 2014 |
999 | C | 5 | |a 10.1002/wcms.1158 |9 -- missing cx lookup -- |2 Crossref |u Barbatti, M. et al. NEWTON-X: A surface‐hopping program for nonadiabatic molecular dynamics. WIREs Comput. Mol. Sci. 4, 26–33 (2014) |
999 | C | 5 | |a 10.1021/acs.jctc.7b00559 |9 -- missing cx lookup -- |1 JW Park |p 3676 - |2 Crossref |u Park, J. W. & Shiozaki, T. On-the-Fly CASPT2 surface-hopping dynamics. J. Chem. Theory Comput. 13, 3676–3683 (2017). |t J. Chem. Theory Comput. |v 13 |y 2017 |
999 | C | 5 | |a 10.1021/acs.jpclett.5b01891 |9 -- missing cx lookup -- |1 S Gozem |p 4532 - |2 Crossref |u Gozem, S. et al. Photoelectron wave function in photoionization: Plane wave or coulomb wave? J. Phys. Chem. Lett. 6, 4532–4540 (2015). |t J. Phys. Chem. Lett. |v 6 |y 2015 |
999 | C | 5 | |a 10.1002/wcms.1546 |9 -- missing cx lookup -- |1 S Gozem |p 1 - |2 Crossref |u Gozem, S. & Krylov, A. I. The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling. WIREs Comput. Mol. Sci. 12, 1–22 (2022). |t WIREs Comput. Mol. Sci. |v 12 |y 2022 |
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