DICP OpenIR
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways?
Zhao, Li1; Liu, Jianyong2; Zhou, Panwang2
Corresponding AuthorZhou, Panwang(pwzhou@dicp.ac.cn)
KeywordFluorescent protein Wavelength dependent Nonadiabatic process Photoisomerization
Source PublicationSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
2019-03-15
ISSN1386-1425
DOI10.1016/j.saa.2018.12.010
Volume211Pages:203-211
Funding ProjectNational Natural Science Foundation of China[21773238] ; National Natural Science Foundation of China[21473195] ; National Natural Science Foundation of China[21803077] ; Fundamental Research Funds for the Central Universities[YJ20170036] ; Fundamental Research Funds for the Central Universities[18CX02025A]
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities
WOS SubjectSpectroscopy
WOS Research AreaSpectroscopy
WOS KeywordPHOTOACTIVE YELLOW PROTEIN ; EXCITED-STATE ; AB-INITIO ; PYP CHROMOPHORE ; TRANS/CIS ISOMERIZATION ; PHOTOINDUCED DYNAMICS ; ABSORPTION-SPECTRUM ; PROTON-TRANSFER ; PHOTOCYCLE ; FLUORESCENCE
AbstractSimilar to the anion photoactive yellow protein (PYP) chromophore, the neutral form of the PYP chromophore was also found to exhibit a the wavelength-dependent photoisomerization quantum yield. The isomerization quantum yield increases with the increasing excitation energy on the S-1 state, while decreases when being excited to the S-2 state. Does this wavelength dependent product yield come out from the specific reaction pathways of the S-1 and S-2 states? This would mean that, the relaxation pathway of the S-2 state is distinct from that of the S-1 state and does not involve twisting motion. Does it break Kasha's rule by exhibiting a direct transition from the S-2 state to the ground state? The underlying mechanism needs further in. In this article, we employed the on-the-fly dynamics simulations and static electronic structure calculations to reveal the deactivation mechanism of the neutral form of the PYP chromophore. Our results indicated that the C=C twisting motion dominates the S-1 state decay process. In contrast, for the decay process of the S-2 state, an ultrafast transition from the S-2 to the S-1 state through a planar conical intersection is observed, and the excess energy activates a new reaction channel to the ground state characterized by a puckering distortion of the ring. This pathway competes with the photoisomerization channel. No direct transition from S-2 to S-0 is observed, hence Kasha's rule is valid for this process. Our calcualtions can provide a reasonable explanation of the wavelength-dependent isomerization quantum yield of neutral PYP chromophore, and we hope it can provide theoretical foundations for comparing the effect of protonation state on the dynamcal behaviors of PYP chromophore. (C) 2018 Elsevier B.V. All rights reserved.
Language英语
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities
WOS IDWOS:000457506200025
PublisherPERGAMON-ELSEVIER SCIENCE LTD
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Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166061
Collection中国科学院大连化学物理研究所
Corresponding AuthorZhou, Panwang
Affiliation1.China Univ Petr East China, Sch Sci, Qingdao 266580, Shandong, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Zhao, Li,Liu, Jianyong,Zhou, Panwang. Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways?[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2019,211:203-211.
APA Zhao, Li,Liu, Jianyong,&Zhou, Panwang.(2019).Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways?.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,211,203-211.
MLA Zhao, Li,et al."Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways?".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 211(2019):203-211.
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