| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380507 | Chemical Physics Letters | 2014 | 6 Pages |
Abstract
- Excitation spectra of 3-cyanoindole (3CI) and its water clusters, 3CI-(H2O)n (n = 1 and 2), have been measured.
- Single conformer of 3CI and two conformers of 3CI-(H2O)1 and 3CI-(H2O)2 each were identified.
- Observed spectra are compared with the predictions of ab initio and density functional theory calculations.
- A water dimer-bridging structure of 3CI-(H2O)2 forming Ï-interaction with the indole ring is intriguing for the hydration of 3CI.
- This study can be regarded as stepping-stone for the understanding fundamental importance of the hydrogen-bonding effects associated with the CN stretch.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ahreum Min, Ahreum Ahn, Cheol Joo Moon, Ji Hoon Lee, Myong Yong Choi, Seong Keun Kim,