Gas phase and bulk ultraviolet photoemission spectroscopy of 3,4,9,10-perylene-tetracarboxylic dianhydride, 1,4,5,8-naphthalene-tetracarboxylic dianhydride, and 1,8-naphthalene-dicarboxylic anhydride.
Gas phase and bulk ultraviolet photoemission spectroscopy of 3,4,9,10-perylene-tetracarboxylic dianhydride, 1,4,5,8-naphthalene-tetracarboxylic dianhydride, and 1,8-naphthalene-dicarboxylic anhydride.
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3,4,9,10-苝-四甲酸二酐、1,4,5,8-萘-四甲酸二酐和1,8-萘-二甲酸酐的气相和本体紫外光电子发射光谱。
DOI：
10.1063/1.3180818
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
C. Ziegler
中科院分区：
文献类型：
--
作者：
Jens Sauther;J. Wüsten;S. Lach;C. Ziegler
通过气相和体紫外光电子能谱研究了π-共轭有机分子3，4，9，10-二萘四甲酸二酐、1，4，5，8-萘四甲酸二酐和1，8-萘二酸酐，并与密度泛函理论计算进行了比较。最终状态的影响，如分子间极化的值进行了测定和解释的结果在薄膜中的相互作用的光谱中的不同功能。此外，分子的最高占据分子轨道清楚地显示出源自振动激发的独特峰，导致Franck-Condon因子的结果。
The pi-conjugated organic molecules 3,4,9,10-perylene-tetracarboxylic dianhydride, 1,4,5,8-naphthalene-tetracarboxylic dianhydride, and 1,8-naphthalene-dicarboxylic anhydride were investigated via gas phase and bulk ultraviolet photoemission spectroscopy and compared to density functional theory calculations. Values for final state effects such as intermolecular polarization were determined and the differing features in the spectra interpreted as a consequence of interactions in the thin films. Additionally, the highest occupied molecular orbitals of the molecules clearly show distinctive peaks originating from vibrational excitations, leading to results for Franck-Condon factors.