Theoretical insight into the photophysical properties of five phosphorescent heteroleptic iridium(III) complexes bearing oxadiazol-substituted amide ligands

Photochem. Photobiol. Sci., 2019, Accepted Manuscript
DOI: 10.1039/C8PP00511G, Paper

Xiaohong Shang, Deming Han, Lihui Zhao, Leijiao Li, Shuhui Lv
A DFT/TDDFT (density functional theory/time-dependent density functional theory) investigation on the geometries in the ground and lowest triplet excited states, the frontier molecular orbitals, the absorption spectra and phosphorescent emission...
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