Design of star-shaped molecular architectures based on carbazole and phosphine oxide moieties: towards amorphous bipolar hosts with high triplet energy for efficient blue electrophosphorescent devices

2010 ◽  
Vol 20 (37) ◽  
pp. 8126 ◽  
Author(s):  
Junqiao Ding ◽  
Qi Wang ◽  
Lei Zhao ◽  
Dongge Ma ◽  
Lixiang Wang ◽  
...  
Keyword(s):  
Phosphine Oxide ◽  
Triplet Energy ◽  
Molecular Architectures

Fluorene-Based Phosphine Oxide Host Materials for Blue Electrophosphorescence: An Effective Strategy for a High Triplet Energy Level

2011 ◽  
Vol 17 (9) ◽  
pp. 2592-2596 ◽  
Author(s):  
Donghui Yu ◽  
Yongbiao Zhao ◽  
Hui Xu ◽  
Chunmiao Han ◽  
Dongge Ma ◽  
...  
Keyword(s):  
Energy Level ◽  
Phosphine Oxide ◽  
Effective Strategy ◽  
Triplet Energy ◽  
Host Materials

scholarly journals Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

2009 ◽  
Vol 81 (4) ◽  
pp. 719-729 ◽  
Author(s):  
Josep M. Oliva ◽  
Douglas J. Klein ◽  
Paul von Ragué Schleyer ◽  
Luis Serrano-Andrés
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Triplet States ◽  
Triplet Energy ◽  
Self Assembling ◽  
Energy Gaps ◽  
Molecular Architectures ◽  
High Level ◽  
Quantum Chemical Computations ◽  
Structure Properties

The 12 cage-anchoring points of the very stable icosahedral ortho-, meta-, and para-carborane allow the design of multidimensional architectures provided new self-assembling routes are devised. We provide bases for constructing carborane molecular architectures through high-level quantum chemical computations. We consider ejection mechanisms for the inner atom/ion in endohedral carborane complexes, singlet-triplet energy gaps in carborane biradicals, as well as geometry reorganization in carborane neutral and dianionic triplet states. These features, explored in monomers, are starting points for the design of molecular architectures based on electronic structure properties of carborane assemblies.

Triazine-phosphine oxide electron transporter for ultralow-voltage-driven sky blue PHOLEDs

2015 ◽  
Vol 3 (19) ◽  
pp. 4890-4902 ◽  
Author(s):  
Jilin Jia ◽  
Liping Zhu ◽  
Ying Wei ◽  
Zhongbin Wu ◽  
Hui Xu ◽  
...  
Keyword(s):  
Phosphine Oxide ◽  
Electron Mobility ◽  
Light Emitting Diodes ◽  
Triphenylphosphine Oxide ◽  
High Electron ◽  
Triplet Energy ◽  
High Electron Mobility ◽  
Light Emitting ◽  
Highly Efficient ◽  
Blue Phosphorescent

Triazine and triphenylphosphine oxide hybrids xTPOTZ were constructed as electron-transporting materials with triplet energy beyond 2.95 eV and high electron mobility for highly efficient blue phosphorescent light-emitting diodes.

Ternary donor–acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence

2015 ◽  
Vol 3 (36) ◽  
pp. 9469-9478 ◽  
Author(s):  
Mingzhi Sun ◽  
Liping Zhu ◽  
Wenjing Kan ◽  
Ying Wei ◽  
Dongge Ma ◽  
...  
Keyword(s):  
Phosphine Oxide ◽  
Energy Gap ◽  
High Energy ◽  
Electronic Coupling ◽  
Triplet Energy ◽  
Donor Acceptor

A triangle-shaped D–A–A molecule PCImbPO with unusually high triplet energy of 3.0 eV, enhanced D–A electronic coupling and separated FMO and triplet locations is described.

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