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Title:MICROWAVE SPECTRA OF 9-FLUORENONE AND BENZOPHENONE
Author(s):Sedo, Galen
Contributor(s):van Wijngaarden, Jennifer; West, Channing
Subject(s):Structure determination
Abstract:The pure rotational spectra of 9-fluorenone (C$_{13}$H$_{8}$O) and benzophenone (C$_{13}$H$_{10}$O) were observed using chirped-pulse Fourier transform microwave spectroscopy (cp-FTMW). The 9-fluorenone spectrum was collected between 8 and 13 GHz, which allowed for the assignment of 124 rotational transitions. A separate spectrum spanning from 8 to 14 GHz was collected for benzophenone, allowing for the assignment of 133 rotational transitions. Both aromatic ketones exhibited strong b-type spectra with little to no centrifugal distortion, indicating highly rigid molecular structures. A comparison of the experimentally determined spectral constants of 9-fluorenone to those calculated using both ab initio and density functional theory strongly suggest the molecule conforms to a planar C$_{2v}$ symmetric geometry as expected for its polycyclic structure. Whereas, a comparison of the experimental benzophenone constants to those predicted by theory suggests a molecule with non-planar C$_{2}$ symmetry, where the two phenyl groups are rotated approximately $32^{circ}$ out-of-plane to form a paddlewheel like geometry.
Issue Date:22-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79377
Date Available in IDEALS:2016-01-05


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