Abstract
AbstractThe nature of chemical bonding in BeF− anion is investigated quantum mechanically. Topological analyses within the realm of quantum theory of atoms in molecules (QTAIM) and electron localization function (ELF) clearly establish the bonds as having “Charge shift” character. The laplacian of electron density is significantly positive and the basin population is lower with a large covariance, indicating significant charge shift character. Detailed analysis reveals no multiple bonding character in this anion and its heavier analogues.
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