Topological and symmetry features of internal rotation potetial in molecules with two rotors |
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| Affiliation: | 1. Department of Microbiology, University of Granada, Granada, Spain;2. AgResearch Grasslands Research Centre, Tennent Drive, Palmerston North, New Zealand;3. Genome Analytics, Helmholtz Centre for Infection Research (HZI), 38124 Braunschweig, Germany;4. Department of Gastroenterology, Hepatology and Infectious Diseases, University of Magdeburg, Leipziger Str. 44, 39120 Magdeburg, Germany |
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| Abstract: | The detailed knowledge of the potential energy surface features of a molecule in a given electronic state (within the Born-Oppenheimer approximation), is very interesting both from the spectroscopic and from configurational analysis point of view.The study of the topological and symmetry properties of potential energy can be great help in order to characterize and understand it, especially when the number of internal coordinates increases.In the present work, we show an application of these methods to the study of the internal rotation potential in a molecule with two three-fold tops as ether. |
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