Symmetry of Chiral Molecules and Materials

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".

Deadline for manuscript submissions: closed (30 April 2022) | Viewed by 1503

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School of Molecular Sciences, Arizona State University, Physical Sciences Building, Room D-102, | PO Box 871604, Tempe, AZ 85287-1604, USA
Interests: theoretical chemistry; nanoscience; nanotechnology; electron transfer

Special Issue Information

Dear Colleagues,

Chirality is a symmetry property that has a profound influence on optical, electric, and magnetic properties of molecules, as well as on spin-controlled chemical reactions. The discovery of the Chirality-Induced Spin Selectivity (CISS) effect has opened up a broad research field on a type of magnetic response that depends on electron transport and not on external magnetic fields. This Special Issue is devoted to the study of the influence of chirality on issues that are especially relevant in quantum biology, including length and temperature dependence in spin-polarized transport.

Prof. Dr. Vladimiro Mujica
Guest Editor

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Published Papers (1 paper)

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Research

10 pages, 3401 KiB  
Article
Controlling Achiral and Chiral Properties with an Electric Field: A Next-Generation QTAIM Interpretation
by Wenjing Yu, Zi Li, Yuting Peng, Xinxin Feng, Tianlv Xu, Herbert Früchtl, Tanja van Mourik, Steven R. Kirk and Samantha Jenkins
Symmetry 2022, 14(10), 2075; https://doi.org/10.3390/sym14102075 - 6 Oct 2022
Cited by 4 | Viewed by 1168
Abstract
We used the recently introduced stress tensor trajectory Uσ space construction within the framework of next-generation quantum theory of atoms in molecules (NG-QTAIM) for a chirality investigation of alanine when subjected to a non-structurally distorting electric field. The resultant sliding of the [...] Read more.
We used the recently introduced stress tensor trajectory Uσ space construction within the framework of next-generation quantum theory of atoms in molecules (NG-QTAIM) for a chirality investigation of alanine when subjected to a non-structurally distorting electric field. The resultant sliding of the axial-bond critical point (BCP) responded significantly, up to twice as much, in the presence of the applied electric field in comparison to its absence. The bond flexing, a measure of bond strain, was always lower by up to a factor of four in the presence of the electric field, depending on its direction and magnitude. An achiral character of up to 7% was found for alanine in the presence of the applied electric field. The achiral character was entirely absent in the presence of the lowest value of the applied electric field. Future applications, including molecular devices using left and right circularly polarized laser pulses, are briefly discussed. Full article
(This article belongs to the Special Issue Symmetry of Chiral Molecules and Materials)
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