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DOI	10.3390/molecules26154680
	Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers
	Wang, Chenglong; Wang, Jingang; Wang, Chunyang
通讯作者	Wang, JG (通讯作者)，Liaoning Petrochem Univ, Coll Sci, Fushun 113001, Peoples R China. ; Wang, CY (通讯作者)，Xian Technol Univ, Northwest Inst Adv Technol, Xian 710021, Peoples R China.
发表日期	2021
EISSN	1420-3049
卷号	26 期号:15
英文摘要	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.
关键词	CATALYSIS
英文关键词	electronic transitions; chirality reversal; electromagnetic interaction
语种	英语
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry
WOS类目	Biochemistry & Molecular Biology ; Chemistry, Multidisciplinary
WOS记录号	WOS:000682252100001
来源期刊	MOLECULES
来源机构	中国科学院西北生态环境资源研究院
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/254086
作者单位	[Wang, Chenglong] Changchun Univ Sci & Technol, Sch Elect Informat Engn, Changchun 130022, Peoples R China; [Wang, Chenglong] Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, Changchun 130033, Peoples R China; [Wang, Jingang] Liaoning Petrochem Univ, Coll Sci, Fushun 113001, Peoples R China; [Wang, Chunyang] Xian Technol Univ, Northwest Inst Adv Technol, Xian 710021, Peoples R China
推荐引用方式 GB/T 7714	Wang, Chenglong,Wang, Jingang,Wang, Chunyang. Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers[J]. 中国科学院西北生态环境资源研究院,2021,26(15).
APA	Wang, Chenglong,Wang, Jingang,&Wang, Chunyang.(2021).Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers.MOLECULES,26(15).
MLA	Wang, Chenglong,et al."Excited States Symmetry Breaking and In-Plane Polarization Cause Chiral Reversal in Diastereomers".MOLECULES 26.15(2021).