ICCAS OpenIR
Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative
Li, Man-Yu3,4; Liao, Qing3,4; Zhang, Meng1,2; Ai, Xi-Cheng4; Li, Fu-You1,2
2008-10-15
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
ISSN0022-2860
Volume888Issue:1-3Pages:2-6
AbstractHere, we report the surface-enhanced Raman scattering (SERS) spectrum of 2-(2 '-hydroxy-5 '-methylphenyl)benzotriazole (Tinuvin P), a benzotriazole derivative that is the most widely used commercially available UV absorber or stabilizer and is used representatively for the research of photostability mechanism. A full assignment of the Raman spectrum has been made based on the scaled-DFT analysis of the normal vibrational modes. Through the comparative studies on the ordinary Raman spectrum and the SERS spectrum of Tinuvin P, we propose that this molecule binds the Au atom, via the O atom of the hydroxyl or the N1 atom of the benzotriazole moiety, with a perpendicular geometry. (C) 2007 Elsevier B.V. All rights reserved.
KeywordBenzotriazole Derivative Surface-enhanced Raman Scattering (Sers) Density Functional Theory (Dft) Adsorption Geometry Adsorptive Site
DOI10.1016/j.molstruc.2007.11.019
Indexed BySCI
Language英语
WOS IDWOS:000260270200001
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/65022
Collection中国科学院化学研究所
Corresponding AuthorLi, Fu-You
Affiliation1.Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China
2.Fudan Univ, Adv Mat Lab, Shanghai 200433, Peoples R China
3.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100080, Peoples R China
4.Renmin Univ China, Dept Chem, Beijing 100872, Peoples R China
Recommended Citation
GB/T 7714
Li, Man-Yu,Liao, Qing,Zhang, Meng,et al. Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative[J]. JOURNAL OF MOLECULAR STRUCTURE,2008,888(1-3):2-6.
APA Li, Man-Yu,Liao, Qing,Zhang, Meng,Ai, Xi-Cheng,&Li, Fu-You.(2008).Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative.JOURNAL OF MOLECULAR STRUCTURE,888(1-3),2-6.
MLA Li, Man-Yu,et al."Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative".JOURNAL OF MOLECULAR STRUCTURE 888.1-3(2008):2-6.
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