| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393564 | Computational and Theoretical Chemistry | 2014 | 10 Pages |
Abstract
Quantum chemical methods were applied to study the effect of deprotonation for the Ru(II) bpy complexes comprising carbene ligand with wingtip group. Red and blue shift, solvatochromism is explained with transition dipole moments. NTOs pair for optically excited singlet states are also illustrated. 3MLCT and 3 d-d triplet transitions are also discussed.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ruby Srivastava,