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面的认识，另一方面将结果应用于探测和定量恢复地球S大气和星际介质中的这些物种。为了完成这些任务，需要实验室合成、记录转动和转动光谱、通过适当的哈密顿量和谱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获得的，而是本项目创造的。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特征。团队的个人专业知识主要涉及三项处于合成化学、分子物理和应用(行星大气、天体物理)边缘的任务：对不稳定的F2BOH分子的不同单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运动。这些结果将与已经获得的等价HONO2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。对土卫六中可能存在的碳链分子NCCCCN的研究。这种中心对称分子实际上并不具有纯的旋转光谱，只有通过观察振动跃迁才能用亚毫米波光谱来检测它。精确测量与大气有很大关系的两个分子，即臭氧和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%(现在的精度不超过4%)，而HOBR的谱线强度由于其快速的自耗尽而完全不可用。

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.