Quantum-chemical design of host materials for full-color triplet emission

被引：103

作者：

Avilov, I

Marsal, P

Brédas, JL

Beljonne, D

机构：

[1] Univ Mons, Lab Chem Novel Mat, Ctr Res Mol Elect & Photon, B-7000 Mons, Belgium

[2] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[3] Natl Acad Sci, Inst Mol & Atom Phys, Minsk 220072, BELARUS

来源：

ADVANCED MATERIALS | 2004年 / 16卷 / 18期

关键词：

D O I：

10.1002/adma.200400402

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab-initio calculations have been used to show, via a rigorous treatment of molecular topology and substitution effects, that the position of frontier molecular orbitals (MOs) and the singlet-triplet energy gap in carbazolespiro derivatives can be tuned almost independently, thus providing a way to insure efficient charge injection while maintaining a high-energy triplet state.

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页码：1624 / +

页数：7

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