Owing to its highly unsaturated nature, the CtC triple bond is one of the most fascinating fragments in chemistry. Possessing characteristic two-coordinate sp-hybridized carbon atoms, acetylene, the simplest yet most important alkyne, is exceptional as it may be utilized to prepare a wide variety of important organic compounds. Even as there are few inorganic or organometallic congeners which offer a convenient comparison with acetylene, herein we report the synthesis 1 and molecular structure 2 of Na 2 [Mes* 2 C 6 H 3 -GatGa-C 6 H 3 Mes* 2 ] (Mes* ) 2,4,6-i-Pr 3 C 6 H 2 ), isolated as deep red (almost black) crystals from the sodium metal reduction of (Mes* 2 C 6 H 3 )GaCl 2 (eq 1). In addition to being the first organometallic compound

No abstract

To simulate and help interpret the nature of the newly synthesized Ga 2 R 2 Na 2 molecule with bulky groups, ab initio and density functional quantum mechanical methods were applied to study the structures and bonding of the model [HGaGaH] 2-, [H 2 GaGaH 2 ] 2-, and [H 3 CGaGaCH 3 ] 2dianions, as well as the neutral Na 2 [H 2 GaGaH 2 ], Na 2 [H 3 CGaGaCH 3 ], Ga 2 H 2 , and Ga 2 H 4 species. Basis sets of triple-ζ plus double polarization quality augmented with diffuse functions were employed. No general bond lengthsbond order relationship is found. Bending from linearity of the acetylene analogues increases the GaGa separation more than the bond order is decreased. The GaGa bonding in the experimental molecule is concluded to be between triple and double in character despite the relatively long bond length.

Reaction of disodium tetracarbonylferrate, Na2[Fe(CO)4], with [2,6-bis(2,4,6-triisopropylphenyl)phenyl]gallium dichloride, (Mes*2C6H3)GaCl2 (Mes* = 2,4,6-triisopropylphenyl), affords tetracarbonyliron [2,6-bis(2,4,6-triisopropylphenyl)phenyl]gallyne, (CO)4Fe⋮Ga(C6H3Mes*2), as anaerobically stable yellow prism crystals. The title compound offers evidence in support of an iron−gallium triple bondthe first ferrogallyne.