DFT/TDDFT methods analysis of ESIPT process in a series of 7-hydroxy-1-indanone derivates and new dyad design
In this work, DFT/TDDFT methods were utilized to have an analysis on the excited-state intramolecular proton transfer (ESIPT) in a series of 7-hydroxy-1-indanone derivates. By comparison of the relative energy in first excited state of each isomer, it is concluded that the direction of ESIPT is deci...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-11-01
|
| Series: | Journal of Saudi Chemical Society |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1319610318300012 |