| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394910 | Computational and Theoretical Chemistry | 2011 | 10 Pages |
Abstract
⺠The photophysics of a heterocyclic compound 2-quinolin-2-yl-phenol is studied theoretically. ⺠DFT-based calculation reveals ESITP leading to large Stokes shifted emission. ⺠Intramolecular H-bonding (IMHB) is explored from structural and IR spectral analysis. ⺠Topology of electron density in IMHB is explored from AIM calculations. ⺠Integrated AIM properties and aromaticity are exploited to highlight resonance-assisted H-bond.
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Authors
Bijan Kumar Paul, Nikhil Guchhait,