| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5400212 | Journal of Luminescence | 2014 | 6 Pages |
Abstract
This could be intelligible considering the photorearrangement of these acyclic nitrones. The ground state energy barriers and free energy of activation of the rearrangement have been calculated using density functional theory (DFT) for the three nitrones in gas phase and in dielectric medium as well. Theoretically calculated barrier energies and free energy can satisfactorily explain the experimental trend of 1st order rate constant.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tandrima Chaudhuri, Tapas Kr. Das, Sneha Salampuria, Chiranjit Pal, Manas Banerjee,