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Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter
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SYSNO ASEP 0523423 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter Author(s) Med, J. (CZ)
Sršeň, Š. (CZ)
Slavíček, Petr (UFCH-W) RID
Domaracka, A. (FR)
Indrajith, S. (FR)
Rousseau, P. (FR)
Fárník, Michal (UFCH-W) RID, ORCID
Fedor, Juraj (UFCH-W) ORCID
Kočišek, Jaroslav (UFCH-W) RID, ORCIDSource Title Journal of Physical Chemistry Letters. - : American Chemical Society - ISSN 1948-7185
Roč. 11, č. 7 (2020), s. 2482-2489Number of pages 8 s. Language eng - English Country US - United States Keywords ION PHOTOELECTRON-SPECTROSCOPY ; CLUSTER ANIONS ; CROSS-SECTIONS Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GA19-01159S GA ČR - Czech Science Foundation (CSF) GA17-04844S GA ČR - Czech Science Foundation (CSF) 7AMB17FR047 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 UT WOS 000526348400014 EID SCOPUS 85082979487 DOI 10.1021/acs.jpclett.0c00278 Annotation We explore solvation of electrons in nonpolar matter, here represented by butadiene clusters. Isolated butadiene supports only the existence of transient anions (resonances). Two-dimensional electron energy loss spectroscopy shows that the resonances lead to an efficient vibrational excitation of butadiene, which can result into the almost complete loss of energy of the interacting electron. Cluster-beam experiments show that molecular clusters of butadiene form stable anions, however only at sizes of more than 9 molecular units. We have calculated the distribution of electron affinities of clusters using classical and path integral molecular dynamics simulations. There is almost a continuous transition from the resonant to the bound anions with an increase in cluster size. The comparison of the classical and quantum dynamics reveals that the electron binding is strongly supported by molecular vibrations, brought about by nuclear zero-point motion and thermal agitation. We also inspected the structure of the solvated electron, finding it well localized. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2021 Electronic address http://hdl.handle.net/11104/0307780
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