Evaluation of parameters of intramolecular interaction from absorption and fluorescence spectra of substituted arylpolyene with poor resolved vibrational structure
Evaluation of parameters of intramolecular interaction from absorption and fluorescence spectra of substituted arylpolyene with poor resolved vibrational structure
复制标题
从振动结构解析较差的取代芳基多烯的吸收和荧光光谱评估分子内相互作用参数
DOI：
10.1016/j.jlumin.2004.06.007
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发表时间：
2005
影响因子：
3.6
通讯作者：
I. Osad’ko
中科院分区：
文献类型：
--
作者：
N. Naumova;I. Vasil’eva;A. Naumov;I. Osad’ko
研究了新合成的取代芳基多烯(C6H5-[CH=CH]2-C6H4-NH2)在固体正辛烷中的荧光和荧光激发光谱(共轭光谱)。光谱具有微弱的振动结构。提出了由共轭光谱求振动相互作用参数的方法。该方法基于以振动带集合的形式对光谱进行建模。每个振动带被表示为窄的零声子线和宽的声子翼的总和。它允许对振动结构分辨率较差的共轭光谱进行理论计算，并可与测量光谱进行比较。通过对实验光谱和模型光谱的对比分析，可以找到决定光谱形状的振动相互作用参数。这一分析使我们能够解释测量的共轭光谱之间的镜面对称性偏离，这是Franck-Condon和Herzberg-Teller相互作用的联合表现。求出了分子主要简正振动的两种相互作用参数。
The fluorescence and fluorescence excitation spectra (conjugated spectra) of new synthesized substituted arylpolyene (C6H5–[CH=CH]2–C6H4–NH2) in solid n-octane at T=4.2K were studied. Spectra have feebly marked vibrational structure. The method of finding vibronic interaction parameters from conjugated spectra was developed. The method is based on the modeling of spectra in the form of set of vibronic bands. Each vibronic band is represented as the sum of narrow zero-phonon line and broad phonon wing. It allows carrying out the theoretical calculation of the conjugated spectra with poor resolved vibrational structure, which can be compared with the measured spectra. The vibronic interaction parameters which determine shape of the spectra can be found from comparative analysis of experimental and model spectra. This analysis allowed us to explain the deviation from the mirror symmetry between measured conjugated spectra as a joint manifestation of Franck-Condon and Herzberg-Teller interactions. The parameters of both interactions for main normal vibrations of molecule were found.