The role of sulfur oxidation in controlling the electronic properties of sulfur-containing host molecules for phosphorescent organic light-emitting diodes

Literature Information

Publication Date 2017-04-07
DOI 10.1039/C7CP00828G
Impact Factor 3.676
Authors


View Original

Abstract

In this study a series of dibenzothiophene (DBT) derivatives having different valence states of sulfur atoms have been reported as host materials for blue phosphorescent organic light-emitting diodes. Their electronic properties have also been thoroughly investigated to develop structure–property relationships which include the consideration of the effect of various oxidation states of the sulfur atom in the core moiety and linking (C–N linkage) of subunits with the core at different positions. The results obtained from the electronic structure calculations highlight that the triplet energy (ET), singlet–triplet energy difference (ΔEST), reorganization energy for the hole and the injection barrier for the electron decrease with an increase in the oxidation state of the sulfur atom in DBT. On the other hand, the injection barrier for the hole and the reorganization energy for the electron increase upon increasing the oxidation state of the sulfur atom present in the DBT.

Related Literature

Selective catalytic oxidation using supported gold–platinum and palladium–platinum nanoalloys prepared by sol-immobilisation

Virginie Peneau, Qian He, Gregory Shaw, Simon A. Kondrat, Thomas E. Davies, Peter Miedziak, Michael Forde, Nikolaos Dimitratos, Christopher J. Kiely, Graham J. Hutchings

2013-04-02 Paper

DOI: 10.1039/C3CP50361E

Atomic-level 2-dimensional chemical mapping and imaging of individual dopants in a phosphor crystal

Guo-zhen Zhu, Andrew P. Knights, Gianluigi A. Botton

2013-05-09 Paper

DOI: 10.1039/C3CP51135A

New perspectives on potential hydrogen storage materials using high pressure

Yang Song

2013-06-04 Perspective

DOI: 10.1039/C3CP52154K

Practical applications of small-angle neutron scattering

Martin J. Hollamby

2013-03-25 Perspective

DOI: 10.1039/C3CP50293G

Li diffusion through doped and defected graphene

Deya Das, Seungchul Kim, Kwang-Ryeol Lee, Abhishek K. Singh

2013-07-17 Paper

DOI: 10.1039/C3CP52891J

Rapid self-healable poly(ethylene glycol) hydrogels formed by selective metal–phosphate interactions

Mitsuhiro Ebara, Shinji Tanaka, Taka-Aki Asoh, Akihiko Kikuchi

2013-04-03 Paper

DOI: 10.1039/C3CP50165E

Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Imre Bakó, Ákos Bencsura, Kersti Hermannson, Szabolcs Bálint, Tamás Grósz, Julianna Oláh

2013-08-08 Paper

DOI: 10.1039/C3CP52271G

Glassy dynamics of sorbitol solutions at terahertz frequencies

Juraj Sibik, Evgenyi Y. Shalaev, J. Axel Zeitler

2013-05-31 Paper

DOI: 10.1039/C3CP51936H

V5+ degradation of sulfonated Radel membranes for vanadium redox flow batteries

Dongyang Chen, Michael A. Hickner

2013-05-23 Paper

DOI: 10.1039/C3CP52035H

Mg composition dependent band offsets of Zn1−xMgxO/ZnO heterojunctions

H. H. Zhang, X. H. Pan, B. Lu, J. Y. Huang, P. Ding, W. Chen, H. P. He, J. G. Lu, S. S. Chen, Z. Z. Ye

2013-05-22 Communication

DOI: 10.1039/C3CP51156A

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.