RT Journal Article
T1 Anti-alignment driven dynamics in the excited states of molecules under strong fields
A1 Carrasco, Sebastián
A1 Rogán, José
A1 Valdivia, Alejandro
A1 Sola Reija, Ignacio
AB 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 opulation is exchanged through a conical intersection. The quantum mechanical dispersion of the as 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.
PB Royal Society of Chemistry (RSC)
YR 2021
FD 2021
LK https://hdl.handle.net/20.500.14352/113855
UL https://hdl.handle.net/20.500.14352/113855
LA eng
NO Phys. Chem. Chem. Phys., 2021, 23, 1936
NO Fondo Nacional de Investigaciones Científicas y Tecnológicas
NO Ministerio de Economía, Comercio y Empresa
DS Docta Complutense
RD 8 abr 2025