Abstract
Here the first planar hexacoordinate phosphorous and arsenic (phP and phAs) atoms are reported. Neutral 18 valence electron EBe3Li3H6 clusters (E = P, As) adopt planar D3h symmetry in their lowest energy singlet state. Chemical bonding reveals partial double bond character in P(As)-Be bonds and single bond character in P(As)-Li bonds. Born-Oppenheimer molecular dynamics simulation as well as their reluctance towards decomposition reveals high kinetic stability of these clusters.
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