dc.contributor.author
Flesch, Roman
dc.contributor.author
Serdaroglu, Ertugrul
dc.contributor.author
Brykalova, Xenia O.
dc.contributor.author
Kan, Elena I.
dc.contributor.author
Klyushina, Ekaterina S.
dc.contributor.author
Krivosenko, Yuri S.
dc.contributor.author
Pavlychev, Andrey A.
dc.date.accessioned
2018-06-08T03:11:20Z
dc.date.available
2015-11-04T12:59:47.607Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/14663
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-18855
dc.description.abstract
High resolution X-ray spectroscopic studies on free SF6 molecules and SF6
clusters near the S 2p ionization thresholds are reported. Spectral changes
occurring in clusters for the intense molecular-like S 2p 1/2,3/2 → 6a1g-,
2t2g-, and 4eg-resonances are examined in detail. Neither gas-to-cluster
spectral shifts nor changes in peak shape are observed for the pre-edge 6a1g-
band. Significant changes in band shape and distinct gas-to-cluster shifts
occur in the S 2p 1/2,3/2 → 2t2g- and 4eg-transitions. These are found in the
S 2p-ionization continua. The quasiatomic approach is used to assign the
experimental results. It is shown that a convolution of asymmetric and
symmetric contributions from Lorentzian and Gaussian line shapes allows us to
model the spectral distribution of oscillator strength for the S 2p 1/2,3/2 →
2t2g-, and 4eg-transitions. The asymmetry is due to trapping of the
photoelectron within the finite size potential barrier. The Lorentzian
contribution is found to be dominating in the line shape of the S 2p → 2t2g-
and 4eg-bands. The spectroscopic parameters of the spin-orbit components of
both the 2t2g- and 4eg-bands are extracted and their gas-to-cluster changes
are analyzed. The photoelectron trapping times in free and clustered SF6
molecules are determined. Specifically, it is shown that spectral changes in
clusters reflected in core-to-valence-transitions are due to a superposition
of the singly scattered photoelectron waves at the neighboring molecules with
the primary and multiply scattered waves within the molecular cage.
en
dc.rights.uri
http://publishing.aip.org/authors/web-posting-guidelines
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik
dc.title
Gas-to-cluster effects in S 2p-excited SF6
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
Journal of Chemical Physics. - 138 (2013), 14, Artikel Nr. 144302
dcterms.bibliographicCitation.doi
10.1063/1.4798975
dcterms.bibliographicCitation.url
http://dx.doi.org/10.1063/1.4798975
refubium.affiliation
Physik
de
refubium.funding
OpenAccess Publikation in Allianzlizenz
refubium.mycore.fudocsId
FUDOCS_document_000000023413
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000005627
dcterms.accessRights.openaire
open access