Positron annihilation and binding in aromatic and other ring molecules

E. Arthur-Baidoo, J. R. Danielson, C. M. Surko, J. P. Cassidy, S. K. Gregg, J. Hofierka, B. Cunningham, C. H. Patterson, D. G. Green

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Abstract

Measured 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. Ab initio many-body theory predictions, which take proper account of electron-positron correlations including virtual-positronium formation, are presented and are found to be in good to excellent agreement with the measured binding energies. The calculations elucidate the competition between permanent dipole moments and ๐œ‹ 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.
Original languageEnglish
Article number062801
JournalPhysical Review A (Atomic, Molecular, and Optical Physics)
Volume109
Issue number6
DOIs
Publication statusPublished - 04 Jun 2024

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