Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter

0523423 - ÚFCH JH 2021 RIV US eng J - Journal Article
Med, J. - Sršeň, Š. - Slavíček, Petr - Domaracka, A. - Indrajith, S. - Rousseau, P. - Fárník, Michal - Fedor, Juraj - Kočišek, Jaroslav
Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter.
Journal of Physical Chemistry Letters. Roč. 11, č. 7 (2020), s. 2482-2489. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GA19-01159S; GA ČR GA17-04844S; GA MŠMT(CZ) 7AMB17FR047
Institutional support: RVO:61388955
Keywords : ION PHOTOELECTRON-SPECTROSCOPY * CLUSTER ANIONS * CROSS-SECTIONS
OECD category: Physical chemistry
Impact factor: 6.475, year: 2020
Method of publishing: Limited access

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.
Permanent Link: http://hdl.handle.net/11104/0307780