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Conformational structures of 3-cyanoindole-(H2O)(n) (n=0-2): Franck-Condon simulationsConformational structures of 3-cyanoindole-(H2O)n (n = 0-2): Franck-Condon simulations
- Other Titles
- Conformational structures of 3-cyanoindole-(H2O)n (n = 0-2): Franck-Condon simulations
- Issue Date
- Nov-2014
- Publisher
- Elsevier BV
- Citation
- Chemical Physics Letters, v.616, pp 55 - 60
- Pages
- 6
- Indexed
- SCI
SCIE
SCOPUS
- Journal Title
- Chemical Physics Letters
- Volume
- 616
- Start Page
- 55
- End Page
- 60
- ISSN
- 0009-2614
1873-4448
- Abstract
- Franck-Condon (FC) simulations were applied to 3-cyanoindole (3CI) and its water clusters, 3CI-(H2O)(n) (n = 1 and 2), for the first time to determine their molecular structures using mass-selected resonant two-photon ionization (R2PI) and UV-UV hole-burning (UVHB) spectroscopy. R2PI and UVHB spectra were compared with the results of Franck-Condon (FC) simulations that can determine the change in a molecular geometry of 3CI-(H2O)(n) (n = 0-2) on electronic excitation. It was found that the most stable structure for each 3CI-(H2O)n (n = 0-2) was identified and their excited state geometries were little influenced upon excitation. (C) 2014 Elsevier B.V. All rights reserved.
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