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 Title: DISCOVERY OF DATIVE BONDING OF BERYLLIUM FLUORIDE ANION BY PHOTOELECTRON VELOCITY MAP IMAGING SPECTROSCOPY Author(s): Theis, Mallory Contributor(s): Heaven, Michael; Jean, Pearl Subject(s): Metal containing Abstract: Beryllium can exhibit unusually strong attractive interactions under conditions where it is nominally a closed-shell atom. Two prominent examples are the Be$_{2}$ dimer and the He-BeO complex. Most recently, we examined the bonding of a similarly interesting molecule, the closed-shell Be-F$^{-}$ anion. This molecule preserves the closed-shell character of the atoms as the electron affinity of F is high (328.16 kJ mol$^{-1}$) while that of Be is negative. Photoelectron velocity map imaging spectroscopy, in conjunction with coupled cluster electronic structure calculations, were used to determine the vibrational frequency for BeF$^{-}$ and the electron affinity of BeF (approximately 8700 \wn). The latter has been used to determine a lower bound of 28480 \wn (343 kJ mol$^{-1}$) for the bond energy of BeF$^{-}$. The electronic structure calculations yielded predictions that were in good agreement with the observed data. A natural bond orbital analysis shows that BeF$^{-}$ is primarily bound by a dative interaction. Issue Date: 06/22/18 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/100716 DOI: 10.15278/isms.2018.FB05 Other Identifier(s): FB05 Date Available in IDEALS: 2018-08-172018-12-12
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