Anti-alignment driven dynamics in the excited states of molecules under strong fields
Abstract
We develop two novel models of the H2+molecule and its isotopes from which we assess quantum-mechanically and semi-classically whether the molecule anti-aligns with the field in the first excited electronic state. The results from both models allow us to predict anti-alignment dynamics even for the HD+isotope, which possesses a permanent dipole moment. The molecule dissociates at angles perpendicular to the field polarization in both the excited and the ground electronic state, as the population is exchanged through a conical intersection. The quantum mechanical dispersion of the initial state is sufficient to cause full dissociation. We conclude that the stabilization of these molecules in the excited state through bond-hardening under a strong field is highly unlikely.
Más información
| Título según WOS: | Anti-alignment driven dynamics in the excited states of molecules under strong fields |
| Título según SCOPUS: | Anti-alignment driven dynamics in the excited states of molecules under strong fields |
| Título de la Revista: | Physical Chemistry Chemical Physics |
| Volumen: | 23 |
| Número: | 3 |
| Editorial: | Royal Society of Chemistry |
| Fecha de publicación: | 2021 |
| Página final: | 1942 |
| Idioma: | English |
| DOI: |
10.1039/d0cp05692h |
| Notas: | ISI, SCOPUS |