DICP OpenIR
Subject Area物理化学
Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine
Yang, Song-qiu1,2; He, Guo-zhong1; Yang SQ(羊送球)
KeywordTime-dependent Density Functional Theory 2 Femtosecond Transient Absorption Spectroscopy 3-dihydro-3-keto-1h-pyrido[3 Hydrogen Bonding Effect 2 1-kl]Phenothiazine
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
2012-06-27
DOI10.1088/1674-0068/25/03/254-260
Volume25Issue:3Pages:254-260
Indexed BySCI
SubtypeArticle
Department11
Funding Project1101
Contribution Rank1,1
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordINTRAMOLECULAR CHARGE-TRANSFER ; EXCITED-STATE DYNAMICS ; PROTON-TRANSFER ; RADIATIONLESS DEACTIVATION ; MOLECULAR-MECHANISM ; ULTRAFAST DYNAMICS ; SINGLET-STATE ; FLUORESCENCE ; ALCOHOLS ; FLAVIN
AbstractTime-dependent density functional theory (TDDFT) and femtosecond transient absorption spectroscopy were used to investigate the photophysical properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine (PTZ4) and 3-keto-1H-pyrido[3,2,1-kl]phenothiazine (PTZ5). The calculated results obtained from TDDFT suggest that the red-shifts of the absorption spectra of these two fluorophores in methanol are due to the formation of hydrogen-bonded complexes at the ground state. Four conformers of PTZ4 were obtained by TDDFT. The two fluorescence peaks of PTZ4 in tetrahydrofuran (THF) came from the ICT states of the four conformers. The fluorescence of PTZ4 in THF showed a dependence on the excitation wavelength because of butterfly bending. The excited state dynamics of PTZ4 in THF and methanol were obtained by transient absorption spectroscopy. The lifetime of the excited PTZ4 in methanol was 53.8 ps, and its relaxation from the LE state to the ICT state was completed within several picoseconds. The short lifetime of excited PTZ4 in methanol was due to the formation of out-of-plane model hydrogen bonds between PTZ4 and methanol at the excited state.
Language英语
WOS IDWOS:000306535500002
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/118390
Collection中国科学院大连化学物理研究所
Corresponding AuthorYang SQ(羊送球)
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Yang, Song-qiu,He, Guo-zhong,Yang SQ. Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2012,25(3):254-260.
APA Yang, Song-qiu,He, Guo-zhong,&羊送球.(2012).Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine.CHINESE JOURNAL OF CHEMICAL PHYSICS,25(3),254-260.
MLA Yang, Song-qiu,et al."Hydrogen Bonding Effects on the Photophysical Properties of 2,3-dihydro-3-keto-1H-pyrido[3,2,1-kl]phenothiazine".CHINESE JOURNAL OF CHEMICAL PHYSICS 25.3(2012):254-260.
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