Journal Article

PUBDB-2021-01986

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Deciphering the rotational spectrum of the first excited torsional state of propylene oxide

Stahl, P. (Corresponding author) ; Arenas, B. E.CFEL*DESY* ; Zingsheim, O. ; Schnell, M.CFEL*DESY* ; Margulès, L. ; Motiyenko, R. A. ; Fuchs, G. W. ; Giesen, T. F.

2021
Academic Press Orlando, Fla.

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Please use a persistent id in citations: doi:10.1016/j.jms.2021.111445  doi:10.3204/PUBDB-2021-01986

Abstract: The 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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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)
2. MPSD (CFEL-SDCCM)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. ASTROROT - Unraveling interstellar chemistry with broadband microwave spectroscopy and next-generation telescope arrays (638027) (638027)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2021

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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