Same but Different: Dipole-Stabilized Shape Resonances in CuF(-) and AgF(.)

Area of Science:

• Physical Chemistry
• Quantum Chemistry
• Atomic and Molecular Physics

Background:

• Electron attachment to molecules is crucial for gas and condensed phase processes.
• Anion properties dictate the behavior of resulting molecular species.
• Understanding electron-bound states is key to chemical reactivity.

Purpose of the Study:

• To investigate electron attachment to copper and silver fluoride molecules.
• To identify and characterize novel metastable anionic states.
• To explore the fundamental properties of molecular anions.

Main Methods:

• Experimental measurements of photoelectron angular distributions.
• Theoretical calculations using Equation-of-Motion Coupled-Cluster (EOM-CCSD) methods.
• Augmentation with complex absorbing potentials to model resonances.

Main Results:

• Discovery of a new class of dipole-stabilized resonances (Σ and Π types).
• Identification of autodetaching states indicated by abrupt changes in photoelectron angular distributions.
• Observation of valence, dipole-bound, and charge-transfer resonance states.

Conclusions:

• Copper and silver fluorides exhibit five distinct types of anionic states.
• These molecules serve as a model system for studying anion properties.
• The findings validate new theoretical methods for metastable anionic states.