Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy

doi:10.1063/1674-0068/cjcp2203046

	Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy
	Wang, Zhengxin; Jiang, Jiaming; Huang, Yifan; Liu, Weimin
	2023-08-01
发表期刊	CHINESE JOURNAL OF CHEMICAL PHYSICS (IF:1.2[JCR-2023],1.1[5-Year])
ISSN	1674-0068
EISSN	2327-2244
卷号	36 期号:4 页码:397-403
发表状态	已发表
DOI	10.1063/1674-0068/cjcp2203046
摘要	Understanding the mechanism of how micro-environments affect molecular rotors helps the design and development of molecular sensors. Here, we utilized femtosecond stimulated Raman spectroscopy, helped by quantum chemical calculation, to study the structural dynamics of 9- (2,2-dicyanovinyl) julolidine in cyclohexane, THF, and DMSO solvents. The obtained hydrogen out-of-plane (HOOP) mode and symmetric/anti-symmetric stretching of two nitriles (C≡N) indicate the rotation of the C7=C8 double bond and C4-C7 single bond in the excited-state which provide two non-radiative decay channels to effectively quench the excited-state population on local excited (LE) state via isomerization and twisted intramolecular charge transfer (TICT). In nonpolar solvent, the excited molecule in the LE state radiatively relaxes to the ground state or performs rotation motions via isomerization and TICT to deactivate fluorescence in the LE state. In the polar solvent, the isomerization plays a role to quench the LE state population; simultaneously, an ultrafast intramolecular charge transfer (ICT) from LE state to emissive ICT state was followed by an TICT between ICT state and dark ICT’ state. © 2023 Chinese Physical Society.
关键词	Excited states Ground state Hydrogen Isomerization Isomers Quantum chemistry Raman spectroscopy Solvents Structural dynamics Charge transfer state Excited-states Femtosecond stimulated raman spectroscopies Hydrogen out-of plane mode Intra-molecular charge transfer Intramolecular charge transfers Isomerisation Out-of-plane modes Twisted intra-molecular charge transfers Twisted intralomecular charge transfer
URL	查看原文
收录类别	EI ; SCI
语种	英语
资助项目	Natural Science Foundation of Shanghai[20ZR1436300] ; National Natural Science Foundation of China[21872094]
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:001080971500003
出版者	American Institute of Physics Inc.
EI入藏号	20234014828344
EI主题词	Charge transfer
EI分类号	408 Structural Design ; 801.4 Physical Chemistry ; 802.2 Chemical Reactions ; 803 Chemical Agents and Basic Industrial Chemicals ; 804 Chemical Products Generally ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics
原始文献类型	Journal article (JA)
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/335578
专题	物质科学与技术学院物质科学与技术学院_PI研究组_刘伟民组物质科学与技术学院_PI研究组_黄逸凡组物质科学与技术学院_硕士生大科学中心_公共科研平台_大科学装置建设部
通讯作者	Huang, Yifan; Liu, Weimin
作者单位	ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China
第一作者单位	物质科学与技术学院
通讯作者单位	物质科学与技术学院
第一作者的第一单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Wang, Zhengxin,Jiang, Jiaming,Huang, Yifan,et al. Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2023,36(4):397-403.
APA	Wang, Zhengxin,Jiang, Jiaming,Huang, Yifan,&Liu, Weimin.(2023).Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy.CHINESE JOURNAL OF CHEMICAL PHYSICS,36(4),397-403.
MLA	Wang, Zhengxin,et al."Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy".CHINESE JOURNAL OF CHEMICAL PHYSICS 36.4(2023):397-403.