Electronic spectroscopy of carbazole and N- and C-substituted carbazoles in homogeneous media and in solid matrix
Electronic spectroscopy of carbazole and N- and C-substituted carbazoles in homogeneous media and in solid matrix
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DOI：
10.1016/s0022-2313(01)00173-9
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发表时间：
2001-05-01
影响因子：
3.6
通讯作者：
Erra-Balsells, R
中科院分区：
文献类型：
--
作者：
Bonesi, SM;Erra-Balsells, R
测定了咔唑和N取代咔唑和c取代咔唑在不同极性有机溶液和固体基质中的最低激发单线态和三重态的荧光和磷光寿命、tau (f)和tau (p)、荧光和磷光量子产率、phi (f)和phi (p)的动态特性。分别为298 K和77 K。根据这些数据，可以很容易地推导出辐射速率常数和无辐射速率常数k(f)(0)、k（ise）、k(f)(0)（77）、k(ise)（77）、k(p)(0)和k(nr)(0)以及系统间交叉量子产率phi （ise）。在298 K和77 K下记录了咔唑及其衍生物的电子光谱（吸收光谱、荧光光谱和磷光发射光谱），并分析了溶剂和取代基对光谱数据和光物理速率常数的影响，得到了良好的线性相关关系。HOMO和LUMO能量的值、振子强度(f)、跃迁偶极子（mu）和与电子跃迁相关的波长，利用半经验PM3和ZINDO/S方法计算了咔唑及其相应的自由基阳离子(δ tah (f)和δ tah （f)(RC)）的生成热和绝热电离势（I-a），并与咔唑系列的光谱和光物理参数以及报道的单电子氧化势（E-p 2）进行了比较。(C) 2001 Elsevier Science B.V.版权所有
The dynamic properties of the lowest excited singlet and triplet states in terms of fluorescence and phosphorescence lifetime, tau (f) and tau (p), fluorescence and phosphorescence quantum yield, phi (f) and phi (p), for carbazole and N- and C-substituted carbazoles have been measured in organic solutions of different polarity and in solid matrix. at 298 and at 77 K, respectively. From these data, the radiative and the radiationless rate constants (k(f)(0), k(ise), k(f)(0)(77), k(ise)(77), k(p)(0) and k(nr)(0)) and the intersystem crossing quantum yield, phi (ise), were easily derived. Electronic spectra (absorption, fluorescence and phosphorescence emission spectral of carbazole and carbazole derivatives have been recorded at 298 and at 77 K and the solvent and substituent effects on the spectroscopic data and on the photophysical rate constant have also been analyzed and good linear correlations have been obtained. The values of the HOMO and LUMO energy, the oscillator strength (f), the transition dipole (Delta mu) and the wavelengths associated to the electronic transitions, the heat of formation of the carbazoles and the corresponding radical cations (DeltaH(f) and DeltaH(f)(RC)) and the adiabatic ionization potential (I-a) were calculated by using the semiempirical PM3 and ZINDO/S methods and were compared with the spectroscopic and photophysical parameters obtained as well as with the one-electron oxidation potential data (E-p 2) reported for the carbazole series. (C) 2001 Elsevier Science B.V. All rights reserved.