Strong Ortho/para Effects In The Vibrational Spectra Of Cl-h2 And Cn-h2

Dahlmann, Franziska

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https://hdl.handle.net/2142/116915 Copy

Description

Title

Strong Ortho/para Effects In The Vibrational Spectra Of Cl-h2 And Cn-h2

Author(s)

Dahlmann, Franziska

Contributor(s)

• Wester, Roland
• Brünken, Sandra
• Stoecklin, Thierry
• Schlemmer, Stephan
• Michaelsen, Tim
• Wild, Robert
• Halvick, Philippe
• Marimuthu, Aravindh Nivas
• Lochmann, Christine
• Lara-Moreno, Miguel
• Jusko, Pavol

Issue Date

2022-06-24

Keyword(s)

Mini-symposium: Benchmarking in Spectroscopy

Abstract

The vibrational predissociation spectra of Cl$^-$H$_2$ and CN$^-$H$_2$ are measured in regions between 450 and 3000 cm$^{-1}$ in an ion trap at different temperatures using the FELIX infrared free electron lasers. Strong differences between the vibrational spectra of the two $para$ and $ortho$ nuclear spin isomers X-($para$-H$_2$) or X-($ortho$-H$_2$), with X = Cl$^-$ or CN$^-$, are detected [1,2]. Above a certain temperature, the removal of the $para$ nuclear spin isomer by ligand exchange to the $ortho$ isomer is suppressed efficiently. Not only do the transition frequencies agree well with calculated spectra using an accurate quantum approach [3], also the line profile matches with the calculated bands. When comparing the absolute frequency positions of the measured and calculated vibrational bands one finds a redshift of about 5cm$^{-1}$ for the strongest band. [1] F. Dahlmann, P. Jusko, M. Lara-Moreno et al., Mol. Phys., submitted [2] F. Dahlmann, C. Lochmann, A. N. Marimuthu et al., J. Chem. Phys. Comm. 155, 241101 (2021) [3] M. Lara-Moreno, P. Halvick, and T. Stoecklin, Phys. Chem. Chem. Phys. 22, 25552–25559 (2020)

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116915&&

DOI

https://doi.org/10.15278/isms.2022.FB07

Copyright and License Information

Copyright 2022 held by the authors

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