DICP OpenIR
Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers
Dong, Changwu; Zhang, Lijuan; Liu, Sheng; Hu, Lili; Cheng, Min; Du, Yikui; Zhu, Qihe; Zhang, Cunha
KeywordM-aminostyrene Rotamer Resonant Two-photon Ionization Platt Rule Ab Initio Dft
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
2014-01-24
DOI10.1016/j.molstruc.2013.10.068
Volume1058Pages:205-212
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordANALYZED THRESHOLD IONIZATION ; JET FLUORESCENCE-SPECTRA ; AB-INITIO CALCULATIONS ; 2-PHOTON IONIZATION ; ELECTRONIC SPECTROSCOPY ; TORSIONAL POTENTIALS ; VIBRATIONAL-SPECTRUM ; MASS-SPECTROMETRY ; P-FLUOROANISOLE ; GAS-PHASE
AbstractThe ab initio and DFT calculations predict that two rotamers, cis and trans m-aminostyrene, are stable for each of the S-0, S-1 and D-0 states. In the one-color resonant two-photon ionization (1C-R2PI) spectra, the band origins of the S-1 <- S-0 electronic transitions (0(0) band) of cis and trans m-aminostyrene appear respectively at 30,937 +/- 3 and 31,141 +/- 3 cm(-1). The electronic transition energies (E-1's) of both rotamers of m-aminostyrene are lower than that of p-aminostyrene, which is contrary to the prediction according to the previous studies. The redshift of E-1's may be related to the mixing character of "L-1(b)," and "L-1(a)" in the S-1 states of the two rotamers. The 2C-R2PI spectra give the adiabatic ionization energies of 61,278 +/- 15 and 61,495 +/- 15 cm(-1) for cis and trans rotamers. The observed active modes of rotamers in the Si states involve mainly the in-plane ring deformation and substituent-sensitive bending vibration. It is derived from the 1C- and 2C-R2PI spectroscopic data that the cis rotamer of m-aminostyrene is more stable than the trans rotamer by 30 +/- 30, 234 +/- 30 and 247 +/- 30 cm(-1) for the S0, S1 and D0 states, respectively. This is different from the m-aminophenol and m-aminoanisole that have a more stable trans rotamer. (C) 2013 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000330258200026
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/145858
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Dong, Changwu,Zhang, Lijuan,Liu, Sheng,et al. Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers[J]. JOURNAL OF MOLECULAR STRUCTURE,2014,1058:205-212.
APA Dong, Changwu.,Zhang, Lijuan.,Liu, Sheng.,Hu, Lili.,Cheng, Min.,...&Zhang, Cunha.(2014).Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers.JOURNAL OF MOLECULAR STRUCTURE,1058,205-212.
MLA Dong, Changwu,et al."Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers".JOURNAL OF MOLECULAR STRUCTURE 1058(2014):205-212.
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
[Dong, Changwu]'s Articles
[Zhang, Lijuan]'s Articles
[Liu, Sheng]'s Articles
Baidu academic
Similar articles in Baidu academic
[Dong, Changwu]'s Articles
[Zhang, Lijuan]'s Articles
[Liu, Sheng]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Dong, Changwu]'s Articles
[Zhang, Lijuan]'s Articles
[Liu, Sheng]'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.