Universität zu Köln

Sundelin, David ORCID: 0000-0002-9501-4434, Marimuthu, Aravindh N., Thorwirth, Sven, Bruenken, Sandra and Geppert, Wolf D. (2022). Spectroscopic characterisation of the isomeric H2NCH+ and H2CNH+ radical cations. J. Mol. Spectrosc., 387. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

The vibrational transitions and the relative abundances of the two isomeric ions H2CNH+ and H2NCH+ generated through electron impact ionisation have been investigated in a noble gas tagging experiment. It could be shown that both species were formed with an abundance of 70 and 30% for H(2)NCH(+)and H2CNH+ , respectively. The obtained vibrational bands of the two species have been assigned to vibrational transitions through comparison with the results of ab initio calculations. These computations also predict both species to be moderately polar. The present investigations show that both isomers should be included in chemical model calculations of dark interstellar clouds, protoplanetary disks, star-forming regions as well as planetary atmospheres.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Sundelin, David UNSPECIFIED orcid.org/0000-0002-9501-4434 UNSPECIFIED Marimuthu, Aravindh N. UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorwirth, Sven UNSPECIFIED UNSPECIFIED UNSPECIFIED Bruenken, Sandra UNSPECIFIED UNSPECIFIED UNSPECIFIED Geppert, Wolf D. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-673419
DOI:	10.1016/j.jms.2022.111640
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	387
Date:	2022
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 EQUILIBRIUM STRUCTURE; MANY-BODY; ION; CCSD(T); PERTURBATION; DERIVATIVES; FREQUENCIES; CONSISTENT; MOLECULES; ORBITALS Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/67341