Theoretical Study on the Dissociation of Ligands in the Rhodium and Iridium Complexes Containing 1,1,1,5,5,5-Hexafluoroacetylacetonato

2013 ◽  
Vol 31 (3) ◽  
pp. 421-429 ◽  
Author(s):  
Xiufang Ma ◽  
Yanhua Lei ◽  
Zhaoxu Chen
Keyword(s):  
Theoretical Study ◽  
Iridium Complexes

Phosphorescent Binuclear Iridium Complexes Based on Terpyridine–Carboxylate: An Experimental and Theoretical Study

2011 ◽  
Vol 50 (17) ◽  
pp. 8197-8206 ◽  
Author(s):  
Eugen S. Andreiadis ◽  
Daniel Imbert ◽  
Jacques Pécaut ◽  
Adrian Calborean ◽  
Ilaria Ciofini ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Iridium Complexes

A theoretical study on the mechanistic highlights behind the Brønsted-acid dependent mer–fac isomerization of homoleptic carbenic iridium complexes for PhOLEDs

2017 ◽  
Vol 46 (22) ◽  
pp. 7194-7209 ◽  
Author(s):  
Tobias Setzer ◽  
Christian Lennartz ◽  
Andreas Dreuw
Keyword(s):  
Theoretical Study ◽  
Isomerization Reaction ◽  
Iridium Complexes ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Brönsted Acid

The strongly acid-dependent mer–fac isomerization reaction of homoleptic carbenic iridium complexes used in PhOLEDs has been investigated quantum chemically.

Complicated Electronic Process of C–C σ-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study

2012 ◽  
Vol 31 (23) ◽  
pp. 8189-8199 ◽  
Author(s):  
Atsushi Ishikawa ◽  
Yudai Tanimura ◽  
Yoshihide Nakao ◽  
Hirofumi Sato ◽  
Shigeyoshi Sakaki
Keyword(s):  
Bond Activation ◽  
Theoretical Study ◽  
Iridium Complexes ◽  
Electronic Process

Theoretical Study of Phosphorescence of Iridium Complexes with Fluorine-Substituted Phenylpyridine Ligands

2011 ◽  
Vol 2011 (16) ◽  
pp. 2517-2524 ◽  
Author(s):  
Xin Li ◽  
Boris Minaev ◽  
Hans Ågren ◽  
He Tian
Keyword(s):  
Theoretical Study ◽  
Iridium Complexes

Theoretical study on a series of iridium complexes with low efficiency roll-off property

2015 ◽  
Vol 134 ◽  
pp. 406-412 ◽  
Author(s):  
Ming-Xing Song ◽  
Guo-Feng Wang ◽  
Jin Wang ◽  
Yu-Hai Wang ◽  
Fu-Quan Bai ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Iridium Complexes ◽  
Low Efficiency
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