| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394557 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠Re(I) polypyridine complexes containing NO2 group were investigated by DFT and TDDFT methods. ⺠The UV-vis absorption spectrum is well accounted for by TD-DFT method. ⺠The emissive lowest lying triplet state is a 3MLCT state for all complexes. ⺠The lack of emission and short excited-state lifetimes.
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Physical and Theoretical Chemistry
Authors
Feng Zhao, Wen-qu Liu, Hong-ying Xia, Yi-bo Wang,