A Neutral Gallium(I) N-Heterocyclic Carbene Analogue: Synthesis, Characterization and Theoretical Analysis

The six-membered N-heterocyclic gallium(I) compound [:Ga((But)Nacnac)] ((But)Nacnac(-)=[{N(Dip)C(Bu-t)}(2)CH](-), Dip = 2,6-diisopropylphenyl) has been synthesized, crystallographically characterized, and its electronic properties analyzed using density functional theory. For purposes of comparison, the isoelectronic cationic germanium(II) complex, [:Ge((But)Nacnac)][Al{OC(CF3)(3)}(4)], has been prepared and structurally authenticated.