0000000000923357
AUTHOR
Sini Irvankoski
A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding: Bonding Analysis and Dispersion Energy Stabilization
The reaction of :AlAriPr8 (AriPr8 = C6H-2,6-(C6H2-2,4,6-iPr3)2-3,5-iPr2) with ArMe6N3 (ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) in hexanes at ambient temperature gave the aluminum imide AriPr8AlNArMe6 (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 :AlAriPr8 and ArMe6N̈:. Dispersion accounts for −89 kJ mol–1, …
CCDC 2065247: Experimental Crystal Structure Determination
Related Article: Joshua D. Queen, Sini Irvankoski, James C. Fettinger, Heikki M. Tuononen, Philip P. Power|2021|J.Am.Chem.Soc.|143|6351|doi:10.1021/jacs.1c02463
CCDC 2065246: Experimental Crystal Structure Determination
Related Article: Joshua D. Queen, Sini Irvankoski, James C. Fettinger, Heikki M. Tuononen, Philip P. Power|2021|J.Am.Chem.Soc.|143|6351|doi:10.1021/jacs.1c02463
CCDC 2065248: Experimental Crystal Structure Determination
Related Article: Joshua D. Queen, Sini Irvankoski, James C. Fettinger, Heikki M. Tuononen, Philip P. Power|2021|J.Am.Chem.Soc.|143|6351|doi:10.1021/jacs.1c02463