Universität zu Köln

Dahlmann, Franziska ORCID: 0000-0003-2898-7460, Jusko, Pavol, Lara-Moreno, Miguel, Halvick, Philippe, Marimuthu, Aravindh N., Michaelsen, Tim, Wild, Robert ORCID: 0000-0002-4800-5172, Geistlinger, Katharina, Schlemmer, Stephan ORCID: 0000-0002-1421-7281, Stoecklin, Thierry, Wester, Roland ORCID: 0000-0001-7935-6066 and Bruenken, Sandra (2022). Predissociation spectroscopy of cold CN-H2 and CN-D2. Mol. Phys., 120 (15-16). ABINGDON: TAYLOR & FRANCIS LTD. ISSN 1362-3028

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Abstract

The vibrational predissociation spectra of the CN-H2 and CN-D2 complexes are measured in regions between 450 and 3100 cm(-1) in an ion trap at different temperatures at the free electron lasers for infrared experiments (FELIX) Laboratory. Strong differences between the vibrational spectra of the two para and ortho nuclear spin isomers (CN-(p-H-2) or CN-(o-H-2) and CN-(p-D-2) or CN-(o-D-2)) are detected. In the case of CN-H2 we could assign the observed bands with the help of an accurate quantum calculation. The spectrum is dominated by the first overtone of the hindered H-2 rotation in combination with the hindered CN rotation of the CN-(o-H-2) nuclear spin isomer. The energetically higher-lying CN-(p-H-2) isomer was not observed due to efficient ortho-para ligand exchange. The C-N stretching mode was recorded at 2040(1) cm(-1). For the CN-D2 system several vibrational modes of both spin isomers overlap in their low-lying intermonomer streching and bending region, but the main observed bands are attributed to the more stable CN-(p-D-2) spin isomer. The D-D stretching vibration was found to be at 2898(1) cm(-1). [GRAPHICS] .

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Dahlmann, Franziska UNSPECIFIED orcid.org/0000-0003-2898-7460 UNSPECIFIED Jusko, Pavol UNSPECIFIED UNSPECIFIED UNSPECIFIED Lara-Moreno, Miguel UNSPECIFIED UNSPECIFIED UNSPECIFIED Halvick, Philippe UNSPECIFIED UNSPECIFIED UNSPECIFIED Marimuthu, Aravindh N. UNSPECIFIED UNSPECIFIED UNSPECIFIED Michaelsen, Tim UNSPECIFIED UNSPECIFIED UNSPECIFIED Wild, Robert UNSPECIFIED orcid.org/0000-0002-4800-5172 UNSPECIFIED Geistlinger, Katharina UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, Stephan UNSPECIFIED orcid.org/0000-0002-1421-7281 UNSPECIFIED Stoecklin, Thierry UNSPECIFIED UNSPECIFIED UNSPECIFIED Wester, Roland UNSPECIFIED orcid.org/0000-0001-7935-6066 UNSPECIFIED Bruenken, Sandra UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-688244
DOI:	10.1080/00268976.2022.2085204
Journal or Publication Title:	Mol. Phys.
Volume:	120
Number:	15-16
Date:	2022
Publisher:	TAYLOR & FRANCIS LTD
Place of Publication:	ABINGDON
ISSN:	1362-3028
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language INFRARED PHOTODISSOCIATION SPECTROSCOPY; 22-POLE ION-TRAP; PHOTOELECTRON-SPECTROSCOPY; COMPLEXES; CHEMISTRY; SPECTRA Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/68824