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Yuthana Tantirungrotechai. Theoretical study on the phosphorescence quantum yields of Ir(III) complexes with N-heterocyclic carbene ligands. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2017.
Theoretical study on the phosphorescence quantum yields of Ir(III) complexes with N-heterocyclic carbene ligands
Name: Phoom Chumponanomakun
Organization :
Thammasat University. Faculty of Science and Technology
Organization :
Thammasat University. Faculty of Science and Technology
Email :
yt203y@gmail.com
keyword:
N-heterocyclic carbene
LCSH:
Iridium
LCSH:
Phosphorescence
Abstract:
N-heterocyclic carbene (NHC) ligands formed triscyclometalated Ir(III) complexes
is an approach to achieve efficient blue emission. This research focuses on the theoretical
investigation of iridium complexes with different NHC ligands including Ir(pmi)3 and
Ir(pmb)3 [pmi = 1-phenyl-3-methylimidazolin-2-ylidene-C,C2ʹ, pmb = 1-phenyl-3-
methylbenzimidazolin-2-ylidene-C,C2ʹ] by considering both facial and meridional isomers.
The phosphorescence radiative rate constants of the complexes were calculated by timedependent
density functional theory (TDDFT) with quadratic response technique. The
temperature-dependent nonradiative decay pathways were also elucidated through the triplet
potential energy surfaces by using density functional theory (DFT). The fac/mer-Ir(pmb)3
complexes have higher radiative decay rate than the fac/mer-Ir(pmi)3 complexes. Energy
barrier between emissive triplet state and quenching triplet state is a determining factor in the
nonradiative decay pathway. The calculations that are consistent with the experiment allow us
to predict the structure-property relationships for improvement in the quantum efficiency of
the Ir(III) complexes.
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2017
Modified:
2562-08-23
Issued:
2019-08-23
บทความ/Article
application/pdf
BibliograpyCitation :
In Chemical Society of Thailand under the Patronage of Her Royal Hghness Princess Chulabhorn Mahidol and King Mongkut's University of Technology North Bangkok Faculty of Applied Science. Pure and Applied Chemistry International Conference (PACCON 2017) (pp.1364-1369). Bangkok : Chemical Society of Thailand under the Patronage of Her Royal Hghness Princess Chulabhorn Mahidol
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.029243 วินาที
Phoom Chumponanomakun
| Title | Contributor | Type |
|---|---|---|
| Theoretical study on the phosphorescence quantum yields of Ir(III) complexes with N-heterocyclic carbene ligands
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Phoom Chumponanomakun;Yuthana Tantirungrotechai | บทความ/Article | |
| Theoretical investigation into the photophysical properties of iridium (III) complexes with N-heterocyclic carbene ligands
มหาวิทยาลัยธรรมศาสตร์ Phoom Chumponanomakun | Yuthana Tantirungrotechai Siriporn P. Naprasertkul | วิทยานิพนธ์/Thesis |
Yuthana Tantirungrotechai
| Title | Contributor | Type |
|---|---|---|
| Theoretical study of photoinduced intramolecular electron transfer in Ru(II)-Re(I) mixed-valence complex
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Rangsiman Ketkaew;Jen-Shiang K. Yu;Yuthana Tantirungrotechai | บทความ/Article | |
| Comparison between mimic olfactory tool and sensory evaluation for grading of jasmine rice
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| Theoretical study on the phosphorescence quantum yields of Ir(III) complexes with N-heterocyclic carbene ligands
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Phoom Chumponanomakun;Yuthana Tantirungrotechai | บทความ/Article |