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Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde

Authors :
Lorenz S. Cederbaum
Ágnes Vibók
Csaba Fábri
Gábor J. Halász
Source :
The Journal of Chemical Physics. 154:124308
Publication Year :
2021
Publisher :
AIP Publishing, 2021.

Abstract

Nonadiabatic coupling is absent between the electronic ground X and first excited (singlet) A states of formaldehyde. As laser fields can induce conical intersections between these two electronic states, formaldehyde is particularly suitable for investigating light-induced nonadiabaticity in a polyatomic molecule. The present work reports on the spectrum induced by light-the so-called field-dressed spectrum-probed by a weak laser pulse. A full-dimensional ab initio approach in the framework of Floquet-state representation is applied. The low-energy spectrum, which without the dressing field would correspond to an infrared vibrational spectrum in the X-state, and the high-energy spectrum, which without the dressing field would correspond to the X → A spectrum, are computed and analyzed. The spectra are shown to be highly sensitive to the frequency of the dressing light allowing one to isolate different nonadiabatic phenomena.

Details

ISSN :
10897690 and 00219606
Volume :
154
Database :
OpenAIRE
Journal :
The Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....675aa36d6e6d3d1ff3b4ff612b0e605b
Full Text :
https://doi.org/10.1063/5.0045069