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Chirality reversal with the carrier-envelope phase : A next generation QTAIM interpretation

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dc.contributor.authorZhou, Xinjie
dc.contributor.authorHe, Huan
dc.contributor.authorHong, Genwei
dc.contributor.authorPeng Mi, Xiao
dc.contributor.authorXu, Tianlv
dc.contributor.authorFruchtl, Herbert
dc.contributor.authorvan Mourik, Tanja
dc.contributor.authorPaterson, Martin, J.
dc.contributor.authorKirk, Steven R.
dc.contributor.authorJenkins, Samantha
dc.date.accessioned2024-07-12T12:30:18Z
dc.date.available2024-07-12T12:30:18Z
dc.date.issued2024-08
dc.identifier303931046
dc.identifierae4f70a0-ae8d-4b5d-bc63-c114c51fa7e2
dc.identifier.citationZhou , X , He , H , Hong , G , Peng Mi , X , Xu , T , Fruchtl , H , van Mourik , T , Paterson , M J , Kirk , S R & Jenkins , S 2024 , ' Chirality reversal with the carrier-envelope phase : A next generation QTAIM interpretation ' , Chemical Physics Letters , vol. 848 , 141391 . https://doi.org/10.1016/j.cplett.2024.141391en
dc.identifier.issn0009-2614
dc.identifier.otherORCID: /0000-0001-6647-4266/work/163570409
dc.identifier.otherORCID: /0000-0001-7683-3293/work/163571089
dc.identifier.urihttps://hdl.handle.net/10023/30158
dc.descriptionFunding: The Hunan Natural Science Foundation of China project gratefully acknowledged approval number: 2022JJ30029. The One Hundred Talents Foundation of Hunan Province is also gratefully acknowledged for the support of S.J. and S.R.K. MJP thanks the EPSRC for funding through grants EP/T021675 and EP/V006746.en
dc.description.abstractSimulated circularly-polarized 10 femtosecond laser pulses that induce a mixture of excited states are applied to ethane. Additionally, the carrier-envelope phase (CEP) angle ϕ, that quantifies the relationship between the time-varying direction of electric (E)-field and the amplitude envelope was used to manipulate the mechanical and chiral properties of ethane using Next Generation Quantum Theory of Atoms in Molecules (NG-QTAIM). The chirality assignments were reversed from S to R as the CEP angle ϕ was increased from ϕ = 0.0° to ϕ = 180°. A one-to-one mapping between the CEP angle ϕ and NGQTAIM trajectories was discovered.
dc.format.extent7
dc.format.extent1083705
dc.language.isoeng
dc.relation.ispartofChemical Physics Lettersen
dc.subjectQD Chemistryen
dc.subjectEen
dc.subject.lccQDen
dc.titleChirality reversal with the carrier-envelope phase : A next generation QTAIM interpretationen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews. Centre for Research into Equality, Diversity & Inclusionen
dc.identifier.doi10.1016/j.cplett.2024.141391
dc.description.statusPeer revieweden


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