jz0c00278_si_001.pdf (855.32 kB)
Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter
journal contribution
posted on 2020-03-13, 21:43 authored by Jakub Med, Štěpán Sršeň, Petr Slavíček, A. Domaracka, S. Indrajith, P. Rousseau, M. Fárník, J. Fedor, J. KočišekWe
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.
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cluster sizeelectron affinitiespath integralCluster-beam experiments showTwo-dimensional electron energy loss spectroscopyzero-point motionbutadiene formbutadiene clustersIsolated butadienequantum dynamicselectron bindinganionvibrational excitationNonpolar Matterdynamics simulationssolvated electronnonpolar matterVibrationally Mediated Stabilization
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