| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394686 | Computational and Theoretical Chemistry | 2012 | 9 Pages |
Abstract
⺠Hydrogen-bonded complexes C337-AN/MAN are studied by DFT and TD-DFT methods. ⺠Hydrogen bonds between C337 and AN (MAN) are strengthened in states S1 and S2. ⺠Infrared spectral redshift confirms hydrogen bonding strengthening in S1 and S2. ⺠Hydrogen bonding strengthening in S1 facilitates the PET from AN and MAN to C337.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Dapeng Yang, Yufang Liu, Deheng Shi, Jinfeng Sun,