Molecular electrostatic potential on the proton-donating atom as a theoretical descriptor of excited state acidity
Journal
Physical Chemistry Chemical Physics
Journal Volume
20
Journal Issue
6
Pages
4351-4359
Date Issued
2018
Author(s)
Wang, Y.-F.
Abstract
* descriptor provides an effective means to quantify the tendency of excited-state proton transfer with a relatively small computational cost, which is expected to be useful in the design of functional photoacids.
SDGs
Type
journal article