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 Title: Combination Of Iodine Quadrupole Coupling And Essentially Free Methyl Internal Rotation In 3-iodotoluene Author(s): Signore, Joshua A. Contributor(s): Novick, Stewart E.; Cooke, S. A.; Pringle, Wallace C.; Nguyen, Ha Vinh Lam Subject(s): Mini-symposium: Large Amplitude Motions Abstract: Quadrupole coupling of an iodine nucleus with its coupling constants in the GHz order has always been a challenge in microwave spectroscopy. Methyl internal rotations with very low torsional barriers also often complicate the spectral analysis and modeling.\footnote{H.V.L. Nguyen and I. Kleiner, \textit{Phys. Sci. Rev.} DOI: 10.1515/psr-2020-0037, in press.} Here, we present the microwave spectrum of a molecule combining the two effects, 3-iodotoluene, observed using a Balle-Flygare Fourier transform microwave spectrometer. The A torsional state including the iodine hyperfine structure has been successfully assigned and fitted utilizing Pickett's \textit{SPFIT/SPCAT}.\footnote{H.M. Pickett, \textit{J. Mol. Spectrosc.} \textbf{148}, 371 (1991).} As expected, the assignment of E torsional state lines has been proven quite challenging due to the extremely low barrier to internal rotation in presence of the iodine hyperfine patterns. Currently, a tentative E state assignment exists and is checked by a separate fit which includes the odd power parameters D$_{a}$ and D$_{b}$ (multiplying the P$_{a}$ and P$_{b}$ operators) and their higher order parameters in the Hamiltonian. We believe that this is the first microwave report that investigates a molecular species possessing a very low barrier to internal rotation with an iodine embedded in its molecular framework. \\ Issue Date: 2021-06-23 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/111266 Date Available in IDEALS: 2021-09-24
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