English

Positron annihilation and binding in aromatic and other ring molecules

Chemical Physics 2024-06-06 v1 Atomic and Molecular Clusters Atomic Physics Computational Physics Quantum Physics

Abstract

Annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons with the vibrational mode spectra yield positron-molecule binding energies. Good to excellent agreement is found between the measured binding energies and the predictions of an \textit{ab initio} many-body theory that takes proper account of electron-positron correlations including virtual-positronium formation. The calculations elucidate the competition between permanent dipole moments and π\pi bonds in determining the spatial distribution of the bound-state positron density. The implications of these results and the role of multimode features in annihilation in these molecules, including Fermi resonances, are discussed.

Cite

@article{arxiv.2312.02779,
  title  = {Positron annihilation and binding in aromatic and other ring molecules},
  author = {E. Arthur-Baidoo and J. R. Danielson and C. M. Surko and J. P. Cassidy and S. K. Gregg and J. Hofierka and B. Cunningham and C. H. Patterson and D. G. Green},
  journal= {arXiv preprint arXiv:2312.02779},
  year   = {2024}
}
R2 v1 2026-06-28T13:41:40.957Z