| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1228795 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2015 | 6 Pages |
Abstract
Theoretical study on 4PHS molecule in the ground state shows the presence of C-Hâ¯O and N-Hâ¯O hydrogen bonding interaction. The high βtot value and the low HOMO-LUMO energy gap are responsible for the optical and electron-transfer properties of 4PHS molecule, which indicates that 4PHS molecule is an excellent organic candidate of photon-responsive materials.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Xiao-Hong Li, Yong-Liang Yong, Hong-Ling Cui, Rui-Zhou Zhang, Xian-Zhou Zhang,