3,5,7,9-tetraphenylhexaazaacridine:: A highly stable, weakly antiaromatic species with 16 π electrons

被引：29

作者：

Langer, P

Bodtke, A

Saleh, NNR

Görls, H

Schreiner, PR

机构：

[1] Univ Rostock, Inst Chem, D-18059 Rostock, Germany

[2] Univ Rostock eV, Leibniz Inst Organ Katalyse IfOK, D-18059 Rostock, Germany

[3] Univ Giessen, Inst Organ Chem, D-35392 Giessen, Germany

[4] Univ Georgia, Dept Chem, Athens, GA 30602 USA

[5] Univ Greifswald, Inst Chem & Biochem, D-17487 Greifswald, Germany

[6] Univ Jena, Inst Anorgan & Analyt Chem, D-07740 Jena, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 33期

关键词：

antiaromaticity; aromaticity; density functional theory; hexaazaacridine; hexaazaanthracene;

D O I：

10.1002/anie.200500831

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Chemical Equation Presented) Zwitterionic structures with very low lying triplet states are the dominant characteristics of the first hexaazaacridine, 3,5,7,9-tetraphenylhexaazaacridine (TPH-acridine, see picture), and the analogous TPH-anthracene. The structure and spectroscopic properties were studied experimentally and by DFT calculations and analysis of nucleus-independent chemical shifts. © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：5255 / 5259

页数：5

共 18 条

[1]

[Anonymous], ANGEW CHEM

[2]

BECKE AD, 1988, PHYS REV A, V37, P785, DOI DOI 10.1103/PHYS.REV.B.37-785

[3]

CLARK T, 1993, ISRAEL J CHEM, V33, P435

[4] ORGANIC TRANSISTORS - 2-DIMENSIONAL TRANSPORT AND IMPROVED ELECTRICAL CHARACTERISTICS [J].