Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5402047 | Journal of Luminescence | 2011 | 9 Pages |
Abstract
⺠Theoretical modelling of the photophysics of an ESIPT probe 10-hydroxybenzo[h]quinoline (HBQ). ⺠Calculation of intramolecular hydrogen bond (IMHB) energy. ⺠Role of hyperconjugative charge transfer interaction in IMHB assessed by NBO perspective. ⺠Topological properties of IMHB analyzed from AIM view point. ⺠Computational results are assayed from direct comparison with experimental reports.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Bijan Kumar Paul, Nikhil Guchhait,