Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers
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 ar...
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| Veröffentlicht in: | Molecules (Basel, Switzerland) Switzerland), 2021-08, Vol.26 (15), p.4680, Article 4680 |
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| creator | Wang, Chenglong Wang, Jingang Wang, Chunyang |
| description | 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 pi 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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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 pi 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.</description><identifier>ISSN: 1420-3049</identifier><identifier>EISSN: 1420-3049</identifier><identifier>DOI: 10.3390/molecules26154680</identifier><identifier>PMID: 34361833</identifier><language>eng</language><publisher>BASEL: Mdpi</publisher><subject>Biochemistry & Molecular Biology ; Broken symmetry ; Catalysis ; Chemistry ; Chemistry, Multidisciplinary ; Chirality ; chirality reversal ; Diastereoisomers ; electromagnetic interaction ; Electromagnetic interactions ; electronic transitions ; Graphene ; Isomers ; Life Sciences & Biomedicine ; Light ; Linear polarization ; Optical properties ; Organic chemistry ; Pesticides ; Physical Sciences ; Polarization ; Polycyclic aromatic hydrocarbons ; Science & Technology ; Symmetry</subject><ispartof>Molecules (Basel, Switzerland), 2021-08, Vol.26 (15), p.4680, Article 4680</ispartof><rights>2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). 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The chirality reversal at the same energy is caused by the in-plane polarization of the TMDM along the Y direction.</description><subject>Biochemistry & Molecular Biology</subject><subject>Broken symmetry</subject><subject>Catalysis</subject><subject>Chemistry</subject><subject>Chemistry, Multidisciplinary</subject><subject>Chirality</subject><subject>chirality reversal</subject><subject>Diastereoisomers</subject><subject>electromagnetic interaction</subject><subject>Electromagnetic interactions</subject><subject>electronic transitions</subject><subject>Graphene</subject><subject>Isomers</subject><subject>Life Sciences & Biomedicine</subject><subject>Light</subject><subject>Linear polarization</subject><subject>Optical properties</subject><subject>Organic chemistry</subject><subject>Pesticides</subject><subject>Physical Sciences</subject><subject>Polarization</subject><subject>Polycyclic aromatic hydrocarbons</subject><subject>Science & Technology</subject><subject>Symmetry</subject><issn>1420-3049</issn><issn>1420-3049</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>HGBXW</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>DOA</sourceid><recordid>eNqNkk9v1DAQxSMEoqXwAbhF4oKEFsZ_kjgXJAgFVqpEReEcje3J1iWJi-0Ulk-Pt1tVFC6c_DT-vaeZ0RTFUwYvhWjh1eRHMstIkdeskrWCe8UhkxxWAmR7_w99UDyK8QKAM8mqh8WBkKJmSojDAo9_GpfIlmcJE8XybDtNlMK2fBsIv7l5U-Jsy_W8Oh1xpvLUjxjcL0zOz2WHS6SyO3cBx_IzXVGIWbi5fOcwJgrkp1x6XDwYcIz05OY9Kr6-P_7SfVydfPqw7t6crIxsIK0IBGkY8hi2lpwEtdigBNZqrdAyPaiBM13pFqUBaFDXYBuNlaksDDYPc1Ss97nW40V_GdyEYdt7dP11wYdNjyE5M1LPeFU1lpNGrSUzUinb1LKyg1EcEHjOer3Pulz0RNbQnPKMd0Lv_szuvN_4q14J2QgucsDzm4Dgvy8UUz-5aGjcLdEvsc8NtFIoySCjz_5CL_wS5ryqHaVUw5VsM8X2lAk-xkDDbTMM-t0x9P8cQ_a82Ht-kPZDNI5mQ7c-AKgV5xVnWQHLtPp_unPp-gY6v8xJ_AbSK8py</recordid><startdate>20210802</startdate><enddate>20210802</enddate><creator>Wang, Chenglong</creator><creator>Wang, Jingang</creator><creator>Wang, Chunyang</creator><general>Mdpi</general><general>MDPI AG</general><general>MDPI</general><scope>BLEPL</scope><scope>DTL</scope><scope>HGBXW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>K9.</scope><scope>M0S</scope><scope>M1P</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>7X8</scope><scope>5PM</scope><scope>DOA</scope><orcidid>https://orcid.org/0000-0003-4221-2629</orcidid></search><sort><creationdate>20210802</creationdate><title>Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers</title><author>Wang, Chenglong ; 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| subjects | Biochemistry & Molecular Biology Broken symmetry Catalysis Chemistry Chemistry, Multidisciplinary Chirality chirality reversal Diastereoisomers electromagnetic interaction Electromagnetic interactions electronic transitions Graphene Isomers Life Sciences & Biomedicine Light Linear polarization Optical properties Organic chemistry Pesticides Physical Sciences Polarization Polycyclic aromatic hydrocarbons Science & Technology Symmetry |
| title | Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers |
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