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

该项目致力于活性分子的研究，主要有两个目标：一方面，提高对其分子结构和势能表面的认识，另一方面，将结果应用于地球大气和星际介质中这些物种的检测和定量检索。为了完成这些任务，需要实验室合成，记录旋转和旋转振动谱，通过适当的哈密顿量和线强度模型进行分析。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。这三个提案团队在过去的合作中取得了成功，属于化学和物理，因此证明了项目的跨学科性质。团队的个人专业知识集中在三个主要任务上，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）的边缘：对不稳定的F2BOH分子的不同单同位素进行广泛的光谱研究，以准确确定其结构并了解其大振幅运动。这些结果将与已经获得的同价HONO2分子的结果进行比较，并可能与仍然是假设的氟甲酸进行比较。可能存在于土卫六的碳链分子NCCCCN的研究。这种中心对称分子实际上不具有纯粹的旋转光谱，亚毫米波光谱只能通过观察旋转振动跃迁来检测它。O3和HOBr这两种与大气有很大关系的分子的绝对线强度的精确测量。第一种方法要求线强度的已知值大于1%（今天的精度不超过4%），而HOBr由于其快速自耗尽，根本没有线强度可用。

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.