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Control of Chirality, Bond flexing and Anharmonicity in an Electric Field
  • +8
  • Zi Li,
  • Xing Nie,
  • Tianlv Xu,
  • Shuman Li,
  • Yong Yang,
  • Herbert Fruchtl,
  • Tanja van Mourik,
  • Steven Kirk,
  • Martin Paterson,
  • Yasuteru Shigeta,
  • Samantha Jenkins
Zi Li
Hunan Normal University
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Xing Nie
Hunan Normal University
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Tianlv Xu
Hunan Normal University
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Shuman Li
Hunan Normal University
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Yong Yang
Hunan Normal University
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Herbert Fruchtl
University of St Andrews
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Tanja van Mourik
University of St Andrews
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Steven Kirk
Hunan Normal University
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Martin Paterson
Heriot Watt University
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Yasuteru Shigeta
University of Tsukuba
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Samantha Jenkins
Hunan Normal University
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Abstract

We located ‘hidden’ S-character chirality in formally achiral glycine using a vector-based interpretation of the total electronic charge density distribution. We induced the formation of stereoisomers in glycine by the application of an electric field. Control of chirality was indicated from the proportionate response to a non-structurally distorting electric field. The bond-flexing was determined to be a measure of bond strain, which could be a factor of three lower or higher, depending on the direction of the electric field, than in the absence of the electric field. The bond-anharmonicity was found to be approximately independent of the electric field. We also compared the formally achiral glycine with the chiral molecules alanine and lactic acid, quantifying the preferences for the S and R stereoisomers. The proportional response of the chiral discrimination to the magnitude and direction of the applied electric field indicated use of the chirality discrimination as a molecular similarity measure.

Peer review status:ACCEPTED

29 May 2021Submitted to International Journal of Quantum Chemistry
29 May 2021Submission Checks Completed
29 May 2021Assigned to Editor
18 Jun 2021Reviewer(s) Assigned
15 Jul 2021Review(s) Completed, Editorial Evaluation Pending
15 Jul 2021Editorial Decision: Revise Minor
16 Jul 20211st Revision Received
17 Jul 2021Submission Checks Completed
17 Jul 2021Assigned to Editor
22 Jul 2021Reviewer(s) Assigned
22 Jul 2021Review(s) Completed, Editorial Evaluation Pending
22 Jul 2021Editorial Decision: Accept