Study of carbon chains, absorbance, and large amplitudes (SCALA)

碳链、吸光度和大幅度的研究 (SCALA)

• 批准号: 5380654
• 负责人: Professor Dr. Hans Bürger
• 金额: --
• 依托单位: Laboratoire de Photophysique Moléculaire
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2002
• 资助国家: 德国
• 起止时间: 2001-12-31 至 2007-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5380654?language=en
• 关键词: Study; carbon; chains; absorbance; large

The project is dedicated to the study of reactive molecules with two main goals: On the one hand the improvement of the knowledge of their molecular structures and potential energy surfaces and on the other hand the application of the results to the detection and quantitative retrieval of these species in the earth´s atmosphere and in the interstellar medium. To achieve these tasks, laboratory syntheses, recording of rotational and rovibrational spectra, analyses by means of appropriate Hamiltonians and line intensity models are required. Such broad and deep expertise is not available in any single laboratory but is created by the present project. The three proposing teams, which have successfully collaborated in the past, belong to chemistry and physics and hereby evidence the interdisciplinary character of the project. The individual expertise of the teams is geared in three main tasks which are at the borderlines of synthetic chemistry, molecular physics and applications (planetary atmospheres, astrophysics): An extensive spectroscopic study of different monoisotopic species of the unstable F2BOH molecule both to determine accurately its structure and understand its large amplitude motion. The results will be compared to those already obtained for the isovalent HONO2 molecule and possibly to the still hypothetical fluoroformic acid. The study of the carbon-chain molecule NCCCCN which is likely to be present in Titan. This centrosymmetric molecule does not possess indeed a pure rotation spectrum and its detection by sub-millimeterwave spectroscopy will be possible only through the observation of rovibrational transitions. The accurate measurement of absolute line intensities for two molecules of great atmospheric relevance, namely O3 and HOBr. The first one requires line intensities to be known to better than ~1% (today the accuracy is not better than 4%) whereas no line intensities at all are available for HOBr owing to its fast self-depletion.

该项目致力于研究活性分子，有两个主要目标：一方面是提高对分子结构和势能面的认识，另一方面是将结果应用于地球大气和星际介质中这些物质的检测和定量检索。为了实现这些任务，实验室合成，旋转和振转光谱的记录，通过适当的哈密顿量和线强度模型的分析是必需的。这种广泛而深入的专业知识是任何一个实验室都无法提供的，而是由本项目创造的。过去成功合作的三个提议团队属于化学和物理，因此证明了该项目的跨学科性质。团队的个人专业知识面向三个主要任务，这些任务处于合成化学，分子物理学和应用（行星大气，天体物理学）的边界：对不稳定的F2 BOH分子的不同单一同位素物种进行广泛的光谱研究，以准确确定其结构并了解其大幅度运动。将结果与已经获得的等价HONO 2分子的结果进行比较，并可能与仍然假设的氟甲酸进行比较。对可能存在于泰坦中的碳链分子NCCCCN的研究。这种中心对称的分子并不拥有真正的纯旋转光谱和它的检测亚毫米波光谱将是可能的，只有通过观察振转跃迁。精确测量两种与大气密切相关的分子，即O3和HOBr的绝对谱线强度。第一种方法要求已知的谱线强度好于~1%（现在的准确度不超过4%），而由于HOBr的快速自耗尽，根本没有谱线强度。