An experimental and computational study of intramolecular charge transfer: Diarylamino derivatives of 7H-benzimidazo(2,1-a)benz(d,e)isoquinolin-7-ones
Jiang, Wei; Tang, J; Qi, Qi; Sun, Y; Ye, H; Fu, D
| HERO ID | 3575591 |
|---|---|
| In Press | No |
| Year | 2009 |
| Title | An experimental and computational study of intramolecular charge transfer: Diarylamino derivatives of 7H-benzimidazo(2,1-a)benz(d,e)isoquinolin-7-ones |
| Authors | Jiang, Wei; Tang, J; Qi, Qi; Sun, Y; Ye, H; Fu, D |
| Journal | Dyes and Pigments |
| Volume | 80 |
| Issue | 3 |
| Page Numbers | 279-286 |
| Abstract | A novel intramolecular donor-acceptor system of four isomers consisting of 7H-benzimidazo(2,1-a)benz(d,e)isoquinolin-7-ones and diarylamine units was synthesized and characterized: the absorption and fluorescence spectra of the system in a variety of solvents were investigated. Intramolecular charge transfer was confirmed within the system by virtue of shifts in emission maximum with increasing solvent polarity; a high dipole moment for the intramolecular excited State Was calculated using the Lippert equation. Shorter lifetimes were observed in polar solvents compared with those in non-polar solvents, indicating strong dipole-dipole interactions occurred. The ground-state geometry, lowest energy transition and the UV-vis spectrum Of the system Were Studied using density functional theory and time-dependent density functional theory at B3LYP/6-31G' level, which showed that the Calculated outcomes were in good agreement with experimental data. (C) 2008 Elsevier Ltd. All rights reserved. |
| Doi | 10.1016/j.dyepig.2008.07.009 |
| Wosid | WOS:000261258500001 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | 7H-Benzimidazo(2,1-a)-benz(d,e)isoquinolin-7-ones; Photophysical; X-ray; Isomer; Charge transfer; DFT |