Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers |
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| Authors: | Chenglong Wang Jingang Wang Chunyang Wang |
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| Institution: | 1.School of Electronic Information Engineering, Changchun University of Science and Technology, Changchun 130022, China;2.Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China;3.College of Science, Liaoning Petrochemical University, Fushun 113001, China;4.Northwest Institutes of Advanced Technology, Xi’an Technological University, Xi’an 710021, China |
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| Abstract: | In this work, we investigate the electronic transitions and chirality of three isomers of huge conjugated systems: asymmetric diastereomers (MMMM) and two symmetrical diastereomers (PMPM and PPMM). The physical mechanism of flipping has been studied theoretically. The new ribbon-shaped polycyclic aromatic hydrocarbons (PAHs) molecule is formed by connecting three graphene-like systems with large conjugated π orbitals. By calculating and analyzing electromagnetic interaction decomposition over distance, it can be found that the chirality reversal of different energies is caused by the symmetrical fracture of TMDM in the Z direction. The chirality reversal at the same energy is caused by the in-plane polarization of the TMDM along the Y direction. |
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| Keywords: | electronic transitions chirality reversal electromagnetic interaction |
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