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000457327 1001_ $$0P:(DE-HGF)0$$aStahl, Pascal$$b0$$eCorresponding author
000457327 245__ $$aDeciphering the rotational spectrum of the first excited torsional state of propylene oxide
000457327 260__ $$aOrlando, Fla.$$bAcademic Press$$c2021
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000457327 520__ $$aThe first excited torsional state of the chiral molecule propylene oxide, $CH_3C_2H_3O$, is investigated from millimeter up to sub-millimeter wavelengths (75–950 GHz). The first excited vibrational mode of propylene oxide, $\nu_{24}$, is analysed using the programs ERHAM and XIAM. Rotational constants and tunneling parameters are provided, and a description of the A-E splittings due to internal rotation is given. Furthermore, the potential barrier height to internal rotation, $V_3$, is determined to be $V_3$ 0 898.6611 (894) cm $^{-1}$. Our results are compared with quantum chemical calculations and literature values. We present a line list of the dense spectrum of the first excited torsional state of propylene oxide in the (sub-) millimeter range. Our results will be useful for further studies of chiral molecules in vibrationally excited states and will enable astronomers to search for rotational transitions originating from $\nu_{24}$ of propylene oxide in interstellar space.
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000457327 7001_ $$0P:(DE-H253)PIP1027609$$aArenas, Benjamin E.$$b1$$udesy
000457327 7001_ $$0P:(DE-HGF)0$$aZingsheim, Oliver$$b2
000457327 7001_ $$0P:(DE-H253)PIP1013514$$aSchnell, Melanie$$b3$$udesy
000457327 7001_ $$0P:(DE-HGF)0$$aMargulès, Laurent$$b4
000457327 7001_ $$0P:(DE-HGF)0$$aMotiyenko, Roman A.$$b5
000457327 7001_ $$0P:(DE-HGF)0$$aFuchs, Guido W.$$b6
000457327 7001_ $$0P:(DE-HGF)0$$aGiesen, Thomas F.$$b7
000457327 773__ $$0PERI:(DE-600)1469771-3$$a10.1016/j.jms.2021.111445$$gVol. 378, p. 111445 -$$p111445$$tJournal of molecular spectroscopy$$v378$$x0022-2852$$y2021
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