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Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches

文献类型：期刊论文

作者Pang, Xiaojuan1,2; Jiang, Chenwei1,2; Qi, Yongnan1,2; Yuan, Ling1,2; Hu, Deping3; Zhang, Xiuxing4; Zhao, Di1,2; Wang, Dongdong5; Lan, Zhenggang3; Li, Fuli1,2
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
出版日期2018-10-28
卷号20期号:40页码:25910-25917
ISSN号1463-9076
DOI10.1039/c8cp04762f
英文摘要Unidirectional rotation represents a very important functional feature in photochemistry, such as in the design of light-driven molecular rotary motors. Great attention has recently been devoted to the unidirectional preference of the torsional motion of azobenzene and other molecules. Azoheteroarenes offer functional advantages over their more conventional azobenzene counterparts due to the introduction of heteroaromatic rings. In this paper, the Z-E photoisomerization dynamics of two azoheteroarenes, 1,2-bis(1-methyl-1H-imidazol-2-yl)diazene and 1,2-bis(1H-imidazol-2-yl)diazene, are investigated with trajectory surface-hopping molecular dynamics at the semi-empirical OM2/MRCI level. Starting from the S-1 excited state of the M-helical Z-isomer of both azoheteroarenes, more than 99% of the trajectories decay to their ground states through the M-helical conical intersections by twisting about the central N?N double bond. This chiral path preference can be well understood by the energy profiles generated by the linear interpolation between the Franck-Condon geometry of the M-helical Z-isomer and the relevant S-1/S-0 conical intersections. The Z-E photoisomerization mechanisms of these two azoheteroarenes display a higher preference for unidirectional rotary dynamics under a chiral path than their counterpart azobenzene.
WOS关键词CIS-TRANS PHOTOISOMERIZATION ; CORRECTED METHODS BENCHMARKS ; EXCITED-STATE ; NONADIABATIC DYNAMICS ; MOLECULAR-DYNAMICS ; BRIDGED-AZOBENZENE ; ANALYTICAL APPROXIMATIONS ; SEMIEMPIRICAL METHODS ; SCATTERING MATRIX ; STOKES CONSTANT
资助项目National Natural Science Foundation of China[11534008] ; National Natural Science Foundation of China[21203144] ; National Natural Science Foundation of China[21673266] ; National Natural Science Foundation of China[21543008] ; National Natural Science Foundation of China[11504288] ; Doctoral Fund of Ministry of Education of China[20120201120056] ; Fundamental Research Funds for the Central Universities[xjj2016053] ; China Scholarship Council ; Distinguished Young Scholars from the Natural Science Foundation of Shandong Province[JQ201504] ; HPC Platform in Xi'an Jiaotong University
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000448345800039
出版者ROYAL SOC CHEMISTRY
资助机构National Natural Science Foundation of China ; Doctoral Fund of Ministry of Education of China ; Fundamental Research Funds for the Central Universities ; China Scholarship Council ; Distinguished Young Scholars from the Natural Science Foundation of Shandong Province ; HPC Platform in Xi'an Jiaotong University
源URL[http://ir.qibebt.ac.cn/handle/337004/11207]  
专题中国科学院青岛生物能源与过程研究所
通讯作者Jiang, Chenwei; Lan, Zhenggang
作者单位1.Xi An Jiao Tong Univ, Key Lab Quantum Informat & Quantum Optoelect Devi, Xian 710049, Peoples R China
2.Xi An Jiao Tong Univ, Dept Appl Phys, Xian 710049, Peoples R China
3.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, 189 Songling Rd, Qingdao 266101, Shandong, Peoples R China
4.Weinan Normal Univ, Dept Phys, Weinan 714000, Peoples R China
5.Xi An Jiao Tong Univ, Sch Sci, Dept Appl Chem, Xian 710049, Peoples R China
推荐引用方式
GB/T 7714		 Pang, Xiaojuan,Jiang, Chenwei,Qi, Yongnan,et al. Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(40):25910-25917.
APA Pang, Xiaojuan.,Jiang, Chenwei.,Qi, Yongnan.,Yuan, Ling.,Hu, Deping.,...&Li, Fuli.(2018).Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(40),25910-25917.
MLA Pang, Xiaojuan,et al."Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.40(2018):25910-25917.

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来源：青岛生物能源与过程研究所

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