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

Abstract

The six-membered N-heterocyclic gallium(I) compound [:Ga(ButNacnac)] (ButNacnac– = [{N(Dip)C(But)}2CH]–, 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(ButNacnac)][Al{OC(CF3)3}4], has been prepared and structurally authenticated.