Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Internal energy dependence in x-ray-induced molecular fragmentation: An experimental and theoretical study of thiophene
Vise andre og tillknytning
2015 (engelsk)Inngår i: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 91, nr 4, artikkel-id 043417Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

A detailed experimental and theoretical investigation of the dynamics leading to fragmentation of doubly ionized molecular thiophene is presented. Dissociation of double-ionized molecules was induced by S 2p core photoionization and the ionic fragments were detected in coincidence with Auger electrons from the core-hole decay. Rich molecular dynamics was observed in electron-ion-ion coincidence maps exhibiting ring breaks accompanied by hydrogen losses and/or migration. The probabilities of various dissociation channels were seen to be very sensitive to the internal energy of the molecule. Theoretical simulations were performed by using the semiempirical self-consistent charge-density-functional tight-binding method. By running thousands of these simulations, the initial conditions encountered in the experiment were properly taken into account, including the systematic dependencies on the internal (thermal) energy. This systematic approach, not affordable with first-principle methods, provides a good overall description of the complex molecular dynamics observed in the experiment and shows good promise for applicability to larger molecules or clusters, thus opening the door to systematic investigations of complex dynamical processes occurring in radiation damage.

sted, utgiver, år, opplag, sider
2015. Vol. 91, nr 4, artikkel-id 043417
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-171693DOI: 10.1103/PhysRevA.91.043417ISI: 000353448500003Scopus ID: 2-s2.0-84928783179OAI: oai:DiVA.org:kth-171693DiVA, id: diva2:844741
Merknad

QC 20150807

Tilgjengelig fra: 2015-08-07 Laget: 2015-08-05 Sist oppdatert: 2017-12-04bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekstScopus

Personposter BETA

Rachlew, Elisabeth

Søk i DiVA

Av forfatter/redaktør
Rachlew, Elisabeth
Av organisasjonen
I samme tidsskrift
Physical Review A. Atomic, Molecular, and Optical Physics

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 50 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf