Universität zu Köln

Marimuthu, Aravindh N., in't Veld, Frank Huis, Thorwirth, Sven, Redlich, Britta and Brunken, Sandra (2021). Infrared predissociation spectroscopy of protonated methyl cyanide, CH3CNH+. J. Mol. Spectrosc., 379. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

The gas phase vibrational spectrum of CH3CNH+ is investigated using a messenger infrared predissociation (IRPD) action spectroscopic method. Vibrational bands were recorded in the 300-1700 cm(-1) and 2000-3300 cm(-1) regions making use of the widely tunable free electron laser for infrared experiments, FELIX, coupled to a cryogenic ion trap instrument. Band assignments were aided by high-level quantum-chemical calculations, which showed excellent agreement with the experimental data. Effects of the neon atom used as messenger in the IRPD method are investigated in detail. The data presented here will support astronomical searches for the CH3CNH+ ion in space, and provide a basis for high-resolution ro-vibrational and pure rotational studies in vibrationally excited states. (C) 2021 The Author(s). Published by Elsevier Inc.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Marimuthu, Aravindh N. UNSPECIFIED UNSPECIFIED UNSPECIFIED in't Veld, Frank Huis UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorwirth, Sven UNSPECIFIED UNSPECIFIED UNSPECIFIED Redlich, Britta UNSPECIFIED UNSPECIFIED UNSPECIFIED Brunken, Sandra UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-573306
DOI:	10.1016/j.jms.2021.111477
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	379
Date:	2021
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language POTENTIAL-ENERGY SURFACES; COUPLED-CLUSTER METHODS; AB-INITIO CALCULATIONS; GAUSSIAN-BASIS SETS; VIBRATIONAL PREDISSOCIATION; CORRELATION CONSISTENT; PERTURBATION-THEORY; TRIPLE EXCITATIONS; MOLECULES; SPECTRA Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/57330