Theoretical study of electronic structures and optoelectronic properties of blue emitting heteroleptic Iridium (III) complexes containing 1, 1-dithiolates
R Srivastava, Y Kada, B Kotamarthi - Computational and Theoretical …, 2013 - Elsevier
We analyze theoretically the electronic structures and photophysical properties of
heteroleptic Iridium (III) complexes (ppy) 2 Ir (deambt)(1a),(tpy) 2 Ir (deambt)(2a),(mpb) 2 Ir
(deambt)(3a),(ppy) 2 Ir (mmbt)(1b),(tpy) 2 Ir (mmbt)(2b), and (mpb) 2 Ir (mmbt)(3b) where
ppy= phenylpyridine, tpy= 2-(p-tolyl) pyridine, mpb= methyl 4-(pyridine-2-yl) benzoate,
deambt=(diethylamino) methanebis (thiolate) and mmbt= methoxymethanebis (thiolate)
respectively using the density functional theory (DFT). We also investigated the influence of …
heteroleptic Iridium (III) complexes (ppy) 2 Ir (deambt)(1a),(tpy) 2 Ir (deambt)(2a),(mpb) 2 Ir
(deambt)(3a),(ppy) 2 Ir (mmbt)(1b),(tpy) 2 Ir (mmbt)(2b), and (mpb) 2 Ir (mmbt)(3b) where
ppy= phenylpyridine, tpy= 2-(p-tolyl) pyridine, mpb= methyl 4-(pyridine-2-yl) benzoate,
deambt=(diethylamino) methanebis (thiolate) and mmbt= methoxymethanebis (thiolate)
respectively using the density functional theory (DFT). We also investigated the influence of …
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