{"title":"Schrödinger cat ground state representing two enantiomers of H3O2.","authors":"ChunMei Liu, Jörn Manz, Jian Wen, Yonggang Yang","doi":"10.1063/5.0256270","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 17","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0256270","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
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