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UV Photoionization of Sodium‐Doped Formic Acid Clusters
Author(s) -
Bende Attila,
Gaele Maria F.,
Di Palma Tonia M.
Publication year - 2018
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201800507
Subject(s) - photoionization , chemistry , time dependent density functional theory , ionization , rydberg formula , cluster (spacecraft) , ionization energy , absorption spectroscopy , atomic physics , density functional theory , computational chemistry , ion , physics , optics , organic chemistry , computer science , programming language
The processes involved in the photoionization of sodium‐doped clusters are complex, not fully understood for many systems and still strongly debated, especially because of the discrepancy between experimental results and predicted cluster structures. We have performed a study on sodium doped formic acid clusters based on UV photoionization spectroscopy and DFT/TDDFT calculations. Apart from the monomer, all the predicted structures show vertical ionization potential values higher than those obtained by the photoionization measurements. We have calculated the absorption spectra and found many Rydberg‐like states near the adiabatic ionization potentials and, crucially, in the UV range where the clusters appearance energies fall. This finding supports the hypothesis of adiabatic contributions in the measured ionization potentials for these clusters.