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Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C
Liu, Yan1,2; Yang, Songqiu1
KeywordUracil Derivatives Conjugation Effect Intramolecular Hydrogen Bond Excited-state Lifetimes Conical Intersections
Source PublicationJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
2016-11-01
ISSN1010-6030
DOI10.1016/j.jphotochem.2016.07.012
Volume330Pages:1-7
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordFLUORESCENCE UP-CONVERSION ; DENSITY-FUNCTIONAL THEORY ; RADIATIONLESS DECAY ; PYRIMIDINE-BASES ; AB-INITIO ; CONICAL INTERSECTIONS ; INTERNAL-CONVERSION ; SUBSTITUTED URACILS ; AQUEOUS-SOLUTION ; CHARGE-TRANSFER
AbstractThe excited-state decay mechanisms of 5-vinyluracil (5VU) are explored by using a combination of experimental and theoretical methods. The effects of vinyl substitutent, including the pi-pi conjugation effect and intramolecular hydrogen bond, are discussed. 5VU comprises the conformers 5VUA and 5VUB at ground state, with and without an intramolecular hydrogen bond C-H center dot center dot center dot O=C, respectively. The steady-state absorption and fluorescence spectra of 5VU are significantly red-shifted with respect to that of uracil. The time-resolved experimental results show that the excited-state decays of 5VU can be described by using three time constants: 2.26 ps, 13.45 ps and 4.66 ns. The decay pathways of 5VU obtained with the linearly interpolated internal coordinate method, predict that the two shorter lifetimes of 2.26 ps and 13.45 ps are attributed to 5VUB, and that the longest lifetime of 4.66 ns is attributed to 5VUA. (C) 2016 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000383295300001
PublisherELSEVIER SCIENCE SA
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/170245
Collection中国科学院大连化学物理研究所
Corresponding AuthorYang, Songqiu
Affiliation1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Liu, Yan,Yang, Songqiu. Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2016,330:1-7.
APA Liu, Yan,&Yang, Songqiu.(2016).Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,330,1-7.
MLA Liu, Yan,et al."Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 330(2016):1-7.
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