UV/Vis/NIR spectral properties of triarylamines and their corresponding radical cations

被引：180

作者：

Amthor, S ^{[1
]}

Noller, B ^{[1
]}

Lambert, C ^{[1
]}

机构：

[1] Univ Wurzburg, Inst Organ Chem, D-97074 Wurzburg, Germany

来源：

CHEMICAL PHYSICS | 2005年 / 316卷 / 1-3期

关键词：

cyclic voltammetry; radical cations; semiempirical calculations; triarylamines; UV/Vis spectroscopy;

D O I：

10.1016/j.chemphys.2005.05.009

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The one-electron oxidation potential of 10 triarylamines 1-10 with all permutations of chloro-, methoxy- and methyl-substituents in the three para-positions were determined by cyclic voltammetry. The half wave potential E-1/2(I) of the first oxidation wave correlates linearly with the number of chloro- and methoxy-substituents. A high long-term stability of the first oxidation wave for all triarylamines was observed by multi-cycle thin-layer measurements. AM1-CISD derived values of the absorption energies are in good agreement with the experiments but differ strongly for the oscillator strengths as well as for neutral compounds 1-10 and their corresponding mono radical cations. The small solvent dependence of the experimental UV/Vis spectra in CH2Cl2 and MeCN reflects a minor charge transfer (CT) character of the electronic transitions of neutral and cationic compounds. (C) 2005 Elsevier B.V. All rights reserved.

引用

页码：141 / 152

页数：12

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