dc.contributor.author
Liu, Chunmei
dc.contributor.author
Manz, Jörn
dc.contributor.author
Wen, Jian
dc.contributor.author
Yang, Yonggang
dc.date.accessioned
2025-09-08T11:32:42Z
dc.date.available
2025-09-08T11:32:42Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/49158
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-48881
dc.description.abstract
The vibronic ground state of HO–H–OH− represents axial Ra and Sa enantiomers, with equal probabilities. It can be prepared thermodynamically at low temperatures (4K). If the chirality is measured to be Ra, then wavefunction collapse induces periodic quantum stereo-mutation from Ra to Sa to Ra to Sa and so on. Similarly, the observation of Sa induces chirality flips from Sa to Ra to Sa to Ra and so on. The period of stereo-mutation is τ = 2.554 ps. The phenomenon is supported by the low energy barrier 174.6 hc cm−1 between the enantiomers and by the light masses of the hydrogen atoms, which interchange positions during stereo-mutation. Interchanges of heavier atoms and higher energy barriers would prohibit Schrödinger cat ground states. This is demonstrated for the counter example, isotopically substituted 12CDH13CH2–Si–12C13C. The results are obtained by means of quantum chemical calculations and quantum dynamics simulations.
en
dc.format.extent
8 Seiten
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject
Quantum chemical calculations
en
dc.subject
Rotational dynamics
en
dc.subject
Computer simulation
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften
dc.title
Schrödinger cat ground state representing two enantiomers of H3O2−
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
174313
dcterms.bibliographicCitation.doi
10.1063/5.0256270
dcterms.bibliographicCitation.journaltitle
Journal of Chemical Physics
dcterms.bibliographicCitation.number
17
dcterms.bibliographicCitation.volume
162
dcterms.bibliographicCitation.url
https://doi.org/10.1063/5.0256270
refubium.affiliation
Biologie, Chemie, Pharmazie
refubium.affiliation.other
Institut für Chemie und Biochemie

refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.eissn
1089-7690
refubium.resourceType.provider
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