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Calculations at the CCSD(T)/cc-pVTZ level show that higher coordinate, hydrido boronium dications are viable species despite their charge-charge repulsion. Structure and bonding of the studied boronium dications are discussed and are compared with their isoelectronic carbon analogs. Although the studied boronium dications are thermodynamically unstable towards deprotonation, their computational characterization supports their transient existence.

Computational study of hydrido boronium dications and comparison with the isoelectronic carbon analogs