Title | Computational Study of the Electron Spectra of Vapor-Phase Indole and Four Azaindoles |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Chong, DP |
Journal | Molecules |
Volume | 26 |
Pagination | 1947 |
ISSN | 1420-3049 |
Abstract | After geometry optimization, the electron spectra of indole and four azaindoles are calculated by density functional theory. Available experimental photoemission and excitation data for indole and 7-azaindole are used to compare with the theoretical values. The results for the other azaindoles are presented as predictions to help the interpretation of experimental spectra when they become available. |
URL | https://www.mdpi.com/1420-3049/26/7/1947 |
DOI | 10.3390/molecules26071947 |
![](https://chem.ubc.ca/sites/default/files/styles/header_large_c/public/header_images/ugradlab-header.jpg?itok=-FidXx5L×tamp=1585256910)