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Solvated Electrons in Very Small Clusters of Polar Molecules:(HF)3−
2002
Physical Review Letters
Preserved Fulltext
Photoelectron spectra of ͑HF͒ 3 2 reveal coexistence of two anionic isomers with vertical electron detachment energies (VDE) of 0.24 and 0.43 eV. The results of electronic-structure calculations, performed at the coupled cluster level of theory with single, double, and noniterative triple excitations, suggest that the two isomers observed experimentally are an open, zigzag, dipole-bound anion and an asymmetric solvated electron, in which the dipole-bound anion of ͑HF͒ 2 is solvated by one HF
doi:10.1103/physrevlett.88.143001
pmid:11955144
fatcat:rple3xrnojah5lisxyojqguuhi