Schrödinger cat ground state representing two enantiomers of H3O2−

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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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-05-07
DOI
https://doi.org/10.1063/5.0256270
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Schrödinger cat ground state representing two enantiomers of H3O2−

Jian Wen, Jörn Manz, Yonggang Yang, Chunmei Liu
The Journal of Chemical Physics
Advanced Chemical Physics Studies
article

Schrödinger cat ground state representing two enantiomers of H3O2−

Jian Wen, Jörn Manz, Yonggang Yang, Chunmei Liu
article en

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.

The Journal of Chemical PhysicsVol. 162(17)
Shanxi University (CN), Nanjing University of Posts and Telecommunications (CN), Freie Universität Berlin (DE)
National Natural Science Foundation of China
Affordable and clean energy
Openalex Percentile: Top 93%
Advanced Chemical Physics Studies
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Schrödinger cat ground state representing two enantiomers of H3O2− — Jian Wen, Jörn Manz, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS