ELECTRIC AND MOLECULAR STRUCTURAL INVESTIGATIONS

电和分子结构研究

• 批准号: 3875836
• 负责人: R MCDIARMID
• 金额: --
• 依托单位: NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES
• 依托单位国家: 美国
• 资助国家: 美国
• 起止时间: 至
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/3875836
• 关键词: acetone; atomic absorption spectrometry; chemical structure; diene; electronic spectra; ionization; molecular energy level; molecular shape; photochemistry; quantum chemistry; spectrometry; visible light

The absorption spectra of the first allowed valence transition of cyclopentadiene and cyclopentadiene-d6 were analyzed. The long vibrational progression was shown to be a progression in predominantly the C=C stretching coordinate. The molecule was deduced to be significantly elongated along the C=C bonds in this excited state. Its excited state lifetime was shown to be 35 fsec and to increase linearly with energy. Superexcited states of ethylene, between the first ionization potential and 1060A, were shown, by an analysis of the simultaneously obtained absorption and ionization spectrum, to couply strongly to the excitation continuum and to photodissociate more rapidly than the molecule ionizes into the continuum. The best random phase quantum mechanical calculations of the one and two photon resonant intensities to the n=3 Rydberg states of acetone were demonstrated, by experimental measurement, to be incapable of accurately reproducing the experimental intensities.

本文报道了三种化合物的第一允许价态跃迁的吸收光谱 分析环戊二烯和环戊二烯-D 6。长振动 进展显示主要是C=C中的进展 拉伸坐标该分子被推断为显著 在这种激发态下沿着沿着C=C键伸长。其激发态 寿命显示为35 fsec并且随能量线性增加。 乙烯的超激发态，在第一电离电位和 1060 A，通过分析同时获得的吸收， 和电离光谱，强烈耦合到激发连续谱， 光离解比分子电离成 连续体 最佳无规相位量子力学计算的一个和两个 丙酮的n=3里德堡态的光子共振强度为 通过实验测量证明，无法准确地 再现实验强度。