ELECTRIC AND MOLECULAR STRUCTURE INVESTIGATION

电学和分子结构研究

• 批准号: 6161928
• 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/6161928
• 关键词: chemical bond resonance; chemical structure; electronic spectra; indoles; molecular asymmetry; molecular energy level; pyrroles; spectrometry

Last year's progress report on our studied of solvent effects on the spectra of indole through an investigation of indole clusters was found to be marred by an unrecognized technical problem. The results obtained, that the 284 nm indole band was shifted successively to the red by the successive addition of 1 - 13 n-hexane molecules is correct. However the observation that the hexane molecules is correct. However the observation that the spectral bands were broader than expected caused us to reexamine our work. We found that one molecule of the carrier gas used in most of our investigations, Ar, bound tightly to either indole or the cluster and perturbed the spectrum. When the experiments were repeated with He as the carrier gas the anticipated narrow spectral bands were obtained but it was not possible to attain large cluster sizes. We also investigated the discrepancy between the mechanism proposed for the hydrogen-binding spectral shift of the indole chromophore in solution, where the binding of both of H-donor and a H-acceptor was deduced to be necessary, and in the gas phase, where the only binding of the H-donor was deduced necessary. Our results indicate that binding the H-donor is necessary to produce the spectral shift but the H-acceptor binds first and remains firmly bound thereafter.

去年我们研究溶剂对 通过对吲哚团簇的研究，发现了吲哚的光谱 被一个未被认识到的技术问题破坏。结果是 得到了284 nm的吲哚带相继移位到 由1-13个正己烷分子连续加成的红色是正确的。 然而，观察到的己烷分子是正确的。然而， 观测到的光谱带比预期的要宽 使我们重新审视我们的工作。我们发现其中的一个分子 我们大多数调查中使用的载气，Ar，与 要么是吲哚，要么是团簇，扰乱了光谱。当 以氦气为载气重复实验，符合预期 获得了较窄的光谱带，但不可能达到 较大的集群规模。我们还调查了两者之间的差异 吲哚氢键光谱漂移的机理 溶液中的发色团，其中H-供体和a-的结合 推测H-受体是必需的，并且在气相中，其中 只有H-给体的结合才是必要的。我们的结果表明 结合H-施主是产生光谱位移所必需的，但 H-受体首先结合，然后保持牢固结合。