Issue 44, 2020

Predissociation spectra of the 35Cl(H2) complex and its isotopologue 35Cl(D2)

Abstract

The predissociation spectra of the 35Cl(H2) and 35Cl(D2) complexes are determined within an accurate quantum approach and compared to those recently measured in an ionic trap at 8 K and 22 K. The calculations are performed using an existing three-dimensional potential energy surface. A variational approach is used for the accurate quantum calculations of the rovibrational bound states. Several methods are compared for the search and the characterization of the resonant states. A good agreement between the calculated and measured spectra is obtained, despite a slight shift to the red of the calculated spectra. The comparison shows that only the ortho or para contribution is observed in the measured 35Cl(H2) or 35Cl(D2) spectrum, respectively. Quantum numbers are assigned to the rovibrational resonant states. It demonstrates that the main features observed in the measured predissociation spectra correspond to a progression in the intermonomer vibrational stretching mode.

Graphical abstract: Predissociation spectra of the 35Cl−(H2) complex and its isotopologue 35Cl−(D2)

Supplementary files

Article information

Article type
Paper
Submitted
22 Sep 2020
Accepted
26 Oct 2020
First published
28 Oct 2020

Phys. Chem. Chem. Phys., 2020,22, 25552-25559

Predissociation spectra of the 35Cl(H2) complex and its isotopologue 35Cl(D2)

M. Lara-Moreno, P. Halvick and T. Stoecklin, Phys. Chem. Chem. Phys., 2020, 22, 25552 DOI: 10.1039/D0CP05015F

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