Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

dc.bibliographicCitation.date2016
dc.bibliographicCitation.firstPage023601eng
dc.bibliographicCitation.issue2eng
dc.bibliographicCitation.journalTitleStructural dynamicseng
dc.bibliographicCitation.volume3eng
dc.contributor.authorHua, Weijie
dc.contributor.authorOesterling, Sven
dc.contributor.authorBiggs, Jason D.
dc.contributor.authorZhang, Yu
dc.contributor.authorAndo, Hideo
dc.contributor.authorde Vivie-Riedle, Regina
dc.contributor.authorFingerhut, Benjamin P.
dc.contributor.authorMukamel, Shaul
dc.date.accessioned2022-07-22T06:07:32Z
dc.date.available2022-07-22T06:07:32Z
dc.date.issued2015
dc.description.abstractAttosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns). We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs) passage through a CoIn. This is demonstrated by a multiconfigurational self-consistent-field study of the dynamics and spectroscopy of the furan ring-opening reaction. Trajectories generated by surface hopping simulations were used to predict Attosecond Stimulated X-ray Raman Spectroscopy signals at reactant and product structures as well as representative snapshots along the conical intersection seam. The signals are highly sensitive to the changes in nonadiabatically coupled electronic structure and geometry.eng
dc.description.versionpublishedVersioneng
dc.identifier.urihttps://oa.tib.eu/renate/handle/123456789/9773
dc.identifier.urihttps://doi.org/10.34657/8811
dc.language.isoengeng
dc.publisherMelville, NY : AIP Publishing LLCeng
dc.relation.doihttps://doi.org/10.1063/1.4933007
dc.relation.essn2329-7778
dc.rights.licenseCC BY 3.0 Unportedeng
dc.rights.urihttps://creativecommons.org/licenses/by/3.0/eng
dc.subject.ddc530eng
dc.subject.ddc500eng
dc.subject.otherAromatic compoundseng
dc.subject.otherDynamicseng
dc.subject.otherElectromagnetic pulseeng
dc.subject.otherElectronic structureeng
dc.subject.otherOrganic pollutantseng
dc.subject.otherRaman spectroscopyeng
dc.subject.otherAttosecond x-ray pulseeng
dc.subject.otherConical intersectioneng
dc.subject.otherMulticonfigurational self-consistent fieldseng
dc.subject.otherNon-adiabatic dynamicseng
dc.subject.otherNuclear dynamicseng
dc.subject.otherProduct structureeng
dc.subject.otherStimulated Ramaneng
dc.subject.otherTemporal and spectral resolutionseng
dc.subject.otherX rayseng
dc.titleMonitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopyeng
dc.typeArticleeng
dc.typeTexteng
tib.accessRightsopenAccesseng
wgl.contributorMBIeng
wgl.subjectPhysikeng
wgl.typeZeitschriftenartikeleng
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