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DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent Ir(iii) complexes with conjugated/non-conjugated carbene ligands

✍ Scribed by Liu, Yuqi; Sun, Xiaobo; Gahungu, Godefroid; Qu, Xiaochun; Wang, Ying; Wu, Zhijian


Book ID
120370615
Publisher
The Royal Society of Chemistry
Year
2013
Tongue
English
Weight
584 KB
Volume
1
Category
Article
ISSN
2050-7526

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DFT/TD-DFT investigation on Ir(III) comp
✍ Tao Liu; Bao-Hui Xia; Qing-Chuan Zheng; Xin Zhou; Qing-Jiang Pan; Hong-Xing Zhan 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 328 KB

## Abstract Iridium(III) complexes with __N__‐heterocyclic (NHC) ligands including __fac__‐Ir(pmb)~3~ (1), __mer__‐Ir(pmb)~3~ (2), (pmb)~2~Ir(acac) (3), __mer__‐Ir(pypi)~3~ (4), and __fac__‐Ir(pypi)~3~ (5) [pmb = 1‐phenyl‐3__H__‐benzimidazolin‐2‐ylidene, acac = acetoylacetonate, pypi = 1‐phenyl‐5__