期刊
CHEMICAL PHYSICS LETTERS
卷 614, 期 -, 页码 263-268出版社
ELSEVIER
DOI: 10.1016/j.cplett.2014.09.041
关键词
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资金
- National Research Foundation [2013R1A1A2057784, 2012R1A2A2A02013289]
- National Research Foundation of Korea through the Star Faculty Program [2012055313]
- Global Frontier R&D Program on Center for Multiscale Energy System [2011-0031567]
- Korea Institute of Science and Technology Information [KSC-2012-C2-46]
- National Research Foundation of Korea [2012R1A2A2A02013289, 2013R1A1A2057784] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
The excitation spectra of 3-cyanoindole (3CI) and its water clusters, 3CI-(H2O), (n = 1 and 2), have been measured by mass-selected resonant two-photon ionization and UV-UV hole-burning (UVHB) spectroscopy. The observed spectra are compared with the predictions of ab initio and density functional theory calculations. The comparison suggests that the spectra arise from a single conformer of 3CI and two conformers of 3CI-(H2O)(n) (n = 1 and 2) each. UVHB and IR-dip spectroscopy were employed to identify the conformers of 3CI-(H2O)(1) and 3CI-(H2O)(2). The conformation-specific structural assignment of the conformers is compared and discussed with theoretical calculations. (C) 2014 Elsevier B.V. All rights reserved.
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