ICCAS OpenIR  > 其它
Isomeric Routes to Schiff-Base Single-layered Covalent Organic Frameworks
Liu, Xuan-He; Mo, Yi-Ping; Yue, Jie-Yu; Zheng, Qing-Na; Yan, Hui-Juan; Wang, Dong; Wan, Li-Jun
DEC 10 2014
Source PublicationSMALL
Volume10Issue:23Pages:4934-4939
AbstractApplying time-dependent density functional theory (TDDFT), we study the resonance Raman spectra for the Q and B bands of the meso-tetrakis(3,5-di-tertiarybutylphenyl)-porphyrin (H2TBPP) molecule including both Raman A term (Franck-Condon term) and Raman B term (Herzberg-Teller term) contributions. It is found that Raman B term can be one order of magnitude larger than Raman A term and dominates resonance Raman for the Q band resonance. In comparison with the recent experimental Raman spectra of H2TBPP with incident light frequency 532 nm, we predict the absence of 1580 cm(-1) band in the resonance Raman spectra which agrees well with the experimental results, whereas the previous theoretical calculation using non-resonance strategy failed to do so. (C) 2014 Elsevier B.V. All rights reserved.
Indexed BySCI
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/38582
Collection其它
Recommended Citation
GB/T 7714
Liu, Xuan-He,Mo, Yi-Ping,Yue, Jie-Yu,et al. Isomeric Routes to Schiff-Base Single-layered Covalent Organic Frameworks[J]. SMALL,DEC ,10(23):4934-4939.
APA Liu, Xuan-He.,Mo, Yi-Ping.,Yue, Jie-Yu.,Zheng, Qing-Na.,Yan, Hui-Juan.,...&Wan, Li-Jun.(DEC ).Isomeric Routes to Schiff-Base Single-layered Covalent Organic Frameworks.SMALL,10(23),4934-4939.
MLA Liu, Xuan-He,et al."Isomeric Routes to Schiff-Base Single-layered Covalent Organic Frameworks".SMALL 10.23(DEC ):4934-4939.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, Xuan-He]'s Articles
[Mo, Yi-Ping]'s Articles
[Yue, Jie-Yu]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, Xuan-He]'s Articles
[Mo, Yi-Ping]'s Articles
[Yue, Jie-Yu]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, Xuan-He]'s Articles
[Mo, Yi-Ping]'s Articles
[Yue, Jie-Yu]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.