Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde
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 polya...
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| Veröffentlicht in: | The Journal of chemical physics 2021-03, Vol.154 (12), p.124308-124308, Article 124308 |
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| container_issue | 12 |
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| container_title | The Journal of chemical physics |
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| creator | Fábri, Csaba Halász, Gábor J. Cederbaum, Lorenz S. Vibók, Ágnes |
| description | 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. |
| doi_str_mv | 10.1063/5.0045069 |
| format | Article |
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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. 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| subjects | Chemistry Chemistry, Physical Electron states Energy spectra Formaldehyde Infrared radiation Intersections Physical Sciences Physics Physics, Atomic, Molecular & Chemical Science & Technology |
| title | Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde |
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