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The reaction of :AlAr  i Pr8 (Ar  i Pr8 = C 6 H-2,6-(C 6 H 2 -2,4,6-  i  Pr 3 ) 2 -3,5-  i  Pr 2 ) with Ar Me6 N 3 (Ar Me6 = C 6 H 3 -2,6-(C 6 H 2 -2,4,6-Me 3 ) 2 ) in hexanes at ambient temperature gave the aluminum imide Ar  i Pr8 AlNAr Me6 ( 1 ). Its crystal structure displayed short Al-N distances of 1.625(4) and 1.628(3) Å with linear (C-Al-N-C = 180°) or almost linear (C-Al-N = 172.4(2)°; Al-N-C = 172.5(3)°) geometries. DFT calculations confirm linear geometry with an Al-N distance of 1.635 Å. According to energy decomposition analysis, the Al-N bond has three orbital components totaling -1350 kJ mol -1 and instantaneous interaction energy of -551 kJ mol -1 with respect to :AlAr  i Pr8 and Ar Me6 N̈:. Dispersion accounts for -89 kJ mol -1 , which is similar in strength to one Al-N π-interaction. The electronic spectrum has an intense transition at 290 nm which tails into the visible region. In the IR spectrum, the Al-N stretching band is calculated to appear at ca. 1100 cm -1 . In contrast, reaction of :AlAr  i Pr8 with 1-AdN 3 or Me 3 SiN 3 gave transient imides that immediately reacted with a second equivalent of the azide to give Ar  i Pr8 Al[(NAd) 2 N 2 ] ( 2 ) or Ar  i Pr8 Al(N 3 ){N(SiMe 3 ) 2 } ( 3 ).

A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding: Bonding Analysis and Dispersion Energy Stabilization