Thermal cis-trans isomerization of triazo-benzene
- Authors
- Choi, Young-Wook; Lim, Young-Kwan; Lee, Sang Uck; Cho, Cheon-Gyu; Lee, Youngil; Sohn, Daewon
- Issue Date
- Jul-2007
- Publisher
- Elsevier
- Keywords
- cis-trans isomer; thermal isomerization; triazo-benzene; ab initio calculation; blue shift
- Citation
- Current Applied Physics, v.7, no.5, pp 513 - 516
- Pages
- 4
- Indexed
- SCOPUS
KCICANDI
- Journal Title
- Current Applied Physics
- Volume
- 7
- Number
- 5
- Start Page
- 513
- End Page
- 516
- URI
- https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/43562
- DOI
- 10.1016/j.cap.2006.10.011
- ISSN
- 1567-1739
1878-1675
- Abstract
- 1,3,5-Hydroxy-triazo-benzene (H-TAB) was synthesized through a coupling-oxidation protocol. Temperature-controlled UV, IR, and ab initio calculation were carried out to investigate the cis-trans thermal isomerization of H-TAB. In temperature-controlled UV experiments, lambda(max) of the pi-pi* band and for the trans conformation at 335 nm and that for the cis form at 282 nm are shifted by increased temperature; band intensities of the pi-pi* transition decrease and of the pi-pi* band is shifted toward the high-energy region. The maximum peak at 2922 cm(-1) is shifted to 2926 cm-1, and that at 2852 cm-1 is shifted to 2856 cm(-1) at increased temperature in the temperature-controlled IR experiment. Ab initio calculation reveals that the cis conformation of H-TAB is more stable than the trans form because the cis form has less spatial repulsion. Therefore, the ground-state energy difference induced by steric repulsion of the benzene unit is the driving force of the blue shift in the thermal IR and UV spectra for the triazo-benzene. (C) 2006 Elsevier B.V. All rights reserved.
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