Oriented electric field stabilized beryllium dimer

Abstract

AbstractOriented electric field (OEEF) has shown promises as smart reagent in many chemical phenomenons. Herein, calculations have shown that application of OEEF along the bond axis can create a strong interaction between beryllium dimer, which in general, is a very weakly bound dimer. OEEF induces significant charge polarization along the bond axis, which resulted in strongly bound beryllium dimer. However, optimum field is required to generate strong interaction. Magnesium and calcium dimers also showed similar strong interaction on application of OEEFs along the bond axis. Field strength required to induce strong interaction depends on the polarizability of the atoms. Significant increment in bond dissociation energies has been observed. Topological feature of electron density clearly reveals charge polarization responsible for such strong interaction.