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Methods of effective molecular size evaluation and temperature shifts of S_1←S_0 anthracene spectrum

机译:S_1←S_0蒽光谱的有效分子大小评估和温度变化方法

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Three methods of effective molecular size evaluation originated from scaled particle theory (SPT) and a method proposed by Dejardin et. al. are checked by correlation analysis on internal consistency. It was shown that the Dejardin's method looks more attractive than SPT methods for estimation of the molecular radii r. Temperature dependence of r is analyzed from the viewpoint of SPT and compared with data of spectral shift experiments. Temperature shifts of S_1←S_0 spectrum of anthracene dissolved in different solvents are as example of such analysis. In accordance with SPT prediction the estimated values of r decrease with temperature increase only in approximation of neglecting of its out-of-plane core vibrations of anthracene.
机译:有效的分子大小评估的三种方法源自比例粒子理论(SPT)和Dejardin等人提出的方法。 al。通过内部一致性的相关性分析进行检查。结果表明,在估算分子半径时,Dejardin方法比SPT方法更具吸引力。从SPT的角度分析了r的温度依赖性,并将其与光谱位移实验的数据进行了比较。溶解在不同溶剂中的蒽的S_1←S_0光谱的温度变化就是这种分析的例子。根据SPT预测,仅在忽略其蒽的面外核心振动的近似情况下,r的估计值随温度升高而降低。

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