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首页> 外文期刊>Bulletin of the Korean Chemical Society >Supersonic Free Jet and Ab initioStudies of Electronic-Vibrational Structures of Fluorene
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Supersonic Free Jet and Ab initioStudies of Electronic-Vibrational Structures of Fluorene

机译:芴的超音速自由射流和从头算研究

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Laser-induced fluorescence (LIF) excitation spectra were measured for fluorene (FR) cooled in pulsed supersonic expansions of He in the range 283.7-296.7 nm. Ab initio studies of FR have also been carried out for determining the electronic and vibrational structures by using the standard 3-21G basis sets. In the LIF excitation spectra of FR, highly resolved vibronic bands are observed having the band origin of 33,791 cm-1. The vibrational bands above the electronic origin were assigned on the basis of the well-characterized electronic vibrational bands reported previously and of normal modes of vibrations derived by our HF/3-21G calculations.
机译:测量了在He的脉冲超音速膨胀中冷却的芴(FR)的激光诱导荧光(LIF)激发光谱,其范围为283.7-296.7 nm。还已经通过使用标准3-21G基集对FR进行了从头开始的研究,以确定电子和振动结构。在FR的LIF激发光谱中,观察到具有33,791 cm-1谱带起源的高分辨振动谱带。电子起源以上的振动带是根据先前报告的特征明确的电子振动带以及通过HF / 3-21G计算得出的正常振动模式分配的。

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