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Searching for new symmetry species of CH5+ – From lines to states without a model

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Abstract CH 5 + is a prototype of an extremely flexible molecule for which the quantum states have eluded an analytical description so far. Therefore, the reconstruction of its quantum… Click to show full abstract

Abstract CH 5 + is a prototype of an extremely flexible molecule for which the quantum states have eluded an analytical description so far. Therefore, the reconstruction of its quantum states relies on methods as e.g. the search for accumulations of combination differences of rovibrational transitions. Using the available high resolution data of the Cologne laboratories [1] , this reconstruction has been improved by using the properties of kernel density estimators as well as new combinatorial approaches to evaluate the found accumulations. Two new symmetry sets have been discovered, and the known ones extended, with 1063 of the 2897 measured lines assigned, which is a significant improvement over the 65 assignments of the previous work. This allowed us not only to reconstruct more parts of the ground state levels, but also of the vibrationally excited states of CH 5 + .

Keywords: symmetry species; searching new; species ch5; ch5 lines; symmetry; new symmetry

Journal Title: Journal of Molecular Spectroscopy
Year Published: 2017

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