The soleil view on prototypical organic nitriles: selected vibrational modes of ethyl cyanide, C2H5CN, and spectroscopic analysis using an automated spectral assignment procedure (ASAP)

Endres, Christian

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https://hdl.handle.net/2142/91462 Copy

Description

Title

The soleil view on prototypical organic nitriles: selected vibrational modes of ethyl cyanide, C2H5CN, and spectroscopic analysis using an automated spectral assignment procedure (ASAP)

Author(s)

Endres, Christian

Contributor(s)

• Thorwirth, Sven
• Schlemmer, Stephan
• Wehres, Nadine
• Pirali, Olivier
• McCarthy, Michael C.
• Martin-Drumel, Marie-Aline
• Caselli, Paola

Issue Date

2016-06-24

Keyword(s)

Synchrotron

Abstract

Vibrational spectra of small organic nitriles, propionitrile and n-butyronitrile, have been investigated at high spectral resolution at the French national synchroton facility SOLEIL using Fourier-transform far-infrared spectroscopy ($<$~700~cm$^{-1}$). The \textit{Automated Spectral Assignment Procedure} (ASAP)\footnote{M. A. Martin-Drumel, C. P. Endres, O. Zingsheim, T. Salomon, J. van Wijngaarden, O. Pirali, S. Gruet, F. Lewen, S. Schlemmer, M. C. McCarthy, and S. Thorwirth 2015, J. Mol. Spectrosc. 315, 72} has been used for line assignement and accurate determination of rotational level energies, in particular, of the $\nu_{20}$=1 and the $\nu_{12}$=1 states of propionitrile. The analysis does not only confirm the applicability of the ASAP in the treatment of (dense) high-resolution infrared spectra but also reveals some of its limitations which will be discussed in some detail.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

En

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http://hdl.handle.net/2142/91462

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Copyright 2016 by the authors

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