The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives

	The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives
	Zhou, Panwang; Liu, Jianyong; Yang, Songqiu; Chen, Junsheng; Han, Keli; He, Guozhong
刊名	physical chemistry chemical physics
	2012
卷号	14 期号:43 页码:15191-15198
通讯作者	韩克利
产权排序	1,1
英文摘要	the ground and excited state geometries, the excitation and emission energies for a series of fluorescein derivatives in aqueous solutions have been investigated using time-dependent density functional theory (td-dft) with b3lyp and a long-range corrected cam-b3lyp functional. the ri-cc2 method was employed to confirm the cam-b3lyp results. as far as we know, the excited state geometries for a series of fluorescein derivatives were optimized for the first time, and the conformational changes upon photoexcitation were discussed. importantly, the previous proposed photo induced electron transfer (pet) mechanism for dictating the fluorescence quantum yield (phi(fl)) of fluorescein derivatives was not fully supported by our calculations. internal conversion may still be the most likely mechanism for dictating the phi(fl) of fluorescein derivatives, which indicates a need for further experimental and theoretical studies on the excited state dynamics of fluorescein derivatives.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	density-functional theory ; charge-transfer ; excited-states ; nitric-oxide ; anisotropic dielectrics ; biological applications ; identity approximation ; internal-conversion ; spectral properties ; aqueous-solution
收录类别	SCI
语种	英语
WOS记录号	WOS:000310005700054
公开日期	2013-10-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/118314]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Zhou, Panwang,Liu, Jianyong,Yang, Songqiu,et al. The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives[J]. physical chemistry chemical physics,2012,14(43):15191-15198.
APA	Zhou, Panwang,Liu, Jianyong,Yang, Songqiu,Chen, Junsheng,Han, Keli,&He, Guozhong.(2012).The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives.physical chemistry chemical physics,14(43),15191-15198.
MLA	Zhou, Panwang,et al."The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives".physical chemistry chemical physics 14.43(2012):15191-15198.