How Strong Is the Gallium⋮Gallium Triple Bond? Theoretical Compliance Matrices as a Probe for Intrinsic Bond Strengths

The inverted matrix of force constants (B3LYP/6-311++G(3df,3pd) level of theory) has been used to estimate the intrinsic gallium−gallium bond strengths of several model compounds with different formal gallium−gallium bond orders. The gallium−gallium bond strength (0.87 aJ/Å 2 ) in a “gallyne” model compound [H−Ga−Ga−H]Na 2 ( C 2 h -symmetry) has been calculated to be weaker than the gallium−gallium double bond (1.20 aJ/Å 2 ) in [H 2 Ga GaH 2 ]Na 2 .