Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)

Stabilization of Zn group dimers: A theoretical study

“…The objective was to stabilize the Group 2 dimer to make the overall system aromatic. Our results indicated that B 3 rings can help in forming strongly bound Group 2 dimers 38 . Can this philosophy be replicated to form a strongly bound Group 12 dimers?…”

“…34,36,37 Recently our group has carried out quantum chemical calculations to stabilize the di-metallic sandwich-type behavior of the B 3 ring with alkaline earth metals. 38 The objective was to stabilize the Group 2 dimer to make the overall system aromatic. Our results indicated that B 3 rings can help in forming strongly bound Group 2 dimers.…”

“…Our results indicated that B 3 rings can help in forming strongly bound Group 2 dimers. 38 Can this philosophy be replicated to form a strongly bound Group 12 dimers? The similarity in electronic configuration (ns 2 ) between the Group 2 element Be and the late transition element Zn has given rise to a new domain in structural chemistry.…”

Strong Be–Be bonds in double-aromatic bridged Be2(μ-SO) molecules

“…46,47 Such attractors, characterized by a smooth electron density distribution and low kinetic energy per electron, are also previously reported for some beryllium compounds. 8,48,49 Note that for the title molecule, NNA is located outside of the Be–Be line (see Fig. 4a).…”

“…46,47 Such attractors, characterized by a smooth electron density distribution and low kinetic energy per electron, are also previously reported for some beryllium compounds. 8,48,49 Note that for the title molecule, NNA is located outside of the Be-Be Table 1 Gibbs free energies (in kcal mol −1 ) along with different dissociation channels using different methods for the Be 2 (μ-SO) molecule. "a" and "b" refer to the singlet and triplet states of the SO moiety…”