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Spectroscopic study of jet-cooled indole-3-carbinol by laser desorption technique: Franck-Condon simulations and anharmonic calculations
- Authors
- Ahn, Ahreum; Min, Ahreum; Moon, Cheol Joo; Lee, Ji Hoon; Lee, Seung Jun; Warashina, Taichi; Ishiuchi, Shun-ichi; Fujii, Masaaki; Choi, Myong Yong
- Issue Date
- Oct-2015
- Publisher
- Elsevier BV
- Citation
- Chemical Physics Letters, v.638, pp 237 - 243
- Pages
- 7
- Indexed
- SCI
SCIE
SCOPUS
- Journal Title
- Chemical Physics Letters
- Volume
- 638
- Start Page
- 237
- End Page
- 243
- ISSN
- 0009-2614
1873-4448
- Abstract
- The conformational structure of indole-3-carbinol (I3C) has been investigated in the gas phase for the first time using a laser desorption technique. A UV-UV hole-burning technique revealed the presence of a single conformer of I3C in the mass-selected resonant two-photon ionization spectrum. The assignment of the observed IR spectrum of I3C is inconclusive due to almost identically predicted IR frequencies of the two lowest energy conformers from harmonic calculations. A conclusive assignment for the conformer of I3C has been reported with an aid of performing anharmonic calculations and Franck-Condon simulations on the two lowest-energy conformers. (C) 2015 Elsevier B.V. All rights reserved.
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