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Unraveling the Metastability of Cn2+ (n = 2-4) Clusters

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Peng,  Zirong
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Choi,  Pyuck-Pa
Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Korea;

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Raabe,  Dierk
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Gault,  Baptiste
Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Citation

Peng, Z., Zanuttini, D., Gervais, B., Jacquet, E., Blum, I., Choi, P.-P., et al. (2019). Unraveling the Metastability of Cn2+ (n = 2-4) Clusters. The Journal of Physical Chemistry Letters, 10(3), 581-588. doi:10.1021/acs.jpclett.8b03449.


Cite as: https://hdl.handle.net/21.11116/0000-0004-6E82-E
Abstract
Pure carbon clusters have received considerable attention for a long time. However, fundamental questions, such as what the smallest stable carbon cluster dication is, remain unclear. We investigated the stability and fragmentation behavior of Cn 2+ (n = 2-4) dications using state-of-the-art atom probe tomography. These small doubly charged carbon cluster ions were produced by laser-pulsed field evaporation from a tungsten carbide field emitter. Correlation analysis of the fragments detected in coincidence reveals that they only decay to Cn-1 + + C+. During C2 2+ ? C+ + C+, significant kinetic energy release (5.75-7.8 eV) is evidenced. Through advanced experimental data processing combined with ab initio calculations and simulations, we show that the field-evaporated diatomic 12C2 2+ dications are either in weakly bound 3?u and 3Sg - states, quickly dissociating under the intense electric field, or in a deeply bound electronic 5Su - state with lifetimes gt;180 ps. © Copyright © 2019 American Chemical Society.