Rotational Spectroscopy Of N-propanol: Aa And Ag Conformers

Zingsheim, Oliver

Permalink

https://hdl.handle.net/2142/116559 Copy

Description

Title

Rotational Spectroscopy Of N-propanol: Aa And Ag Conformers

Author(s)

Zingsheim, Oliver

Contributor(s)

• Schlemmer, Stephan
• Lewen, Frank
• Belloche, Arnaud
• Bonah, Luis
• Fatima, Mariyam
• Heyne, Bettina
• Müller, Holger S. P.

Issue Date

2022-06-22

Keyword(s)

Large amplitude motions, internal rotation

Abstract

Propanol occurs in two isomers, as a primary alcohol \textit{normal}-propanol (CH$_3$CH$_2$CH$_2$OH) and as a secondary alcohol \textit{iso}-propanol (CH$_3$CH(OH)CH$_3$). Moreover, \textit{normal}-Propanol occurs in five different conformers: \textit{Ga}, \textit{Gg}, \textit{Gg'}, \textit{Aa}, and \textit{Ag}. Rotational spectra of all three conformers of the \textit{G} family are well described [1], hence, an astronomical search of their rotational fingerprints is possible, in contrast to \textit{Aa} and \textit{Ag}. Rotational spectra of \textit{normal}-propanol were recorded in the frequency region of 18 to 500\,GHz. Double-modulation double-resonance (DM-DR) measurements were performed additionally, in particular to unambiguously assign weak transitions of the \textit{Aa} and to verify assignments of the \textit{Ag} conformer. An extended quantum mechanical model for \textit{Aa} was derived, based on Ref. [2]. Furthermore, the existence of two tunneling states, \textit{Ag}$^+$ and \textit{Ag}$^-$, has been proven by unambiguously assigned transitions, but a quantum mechanical model description for \textit{Ag} could not be given yet. The astronomical detection of all five conformers is now possible, but the quantum mechanical description of the \textit{A} family should still be improved in the future. \newline\newline [1] Kisiel, Z., Dorosh, O., Maeda, A., et al., \textit{Phys. Chem. Chem. Phys.} \textbf{12} (2010) 8329. \newline [2] Dreizier, H. \& Scappini, F. Z., \textit{Naturforsch. A} \textbf{36} (1981), 1187.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116559&&

DOI

https://doi.org/10.15278/isms.2022.WF11

Copyright and License Information

Copyright 2022 held by the authors

Owning Collections