How Strong Is the Gallium⋮Gallium Triple Bond? Theoretical Compliance Matrices as a Probe for Intrinsic Bond Strengths
Journal of the American Chemical Society2000Vol. 122(25), pp. 6045–6047
Citations Over TimeTop 10% of 2000 papers
Abstract
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/Å2) in a “gallyne” model compound [H−Ga−Ga−H]Na2 (C2h-symmetry) has been calculated to be weaker than the gallium−gallium double bond (1.20 aJ/Å2) in [H2GaGaH2]Na2.
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