A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding : Bonding Analysis and Dispersion Energy Stabilization
Queen, J. D., Irvankoski, S., Fettinger, J. C., Tuononen, H. M., & Power, P. P. (2021). A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding : Bonding Analysis and Dispersion Energy Stabilization. Journal of the American Chemical Society, 143(17), 6351-6356. https://doi.org/10.1021/jacs.1c02463
Julkaistu sarjassa
Journal of the American Chemical SocietyTekijät
Päivämäärä
2021Oppiaine
Nanoscience CenterEpäorgaaninen ja analyyttinen kemiaEpäorgaaninen kemiaNanoscience CenterInorganic and Analytical ChemistryInorganic ChemistryTekijänoikeudet
© 2021 American Chemical Society
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, 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 :AlAriPr8 with 1-AdN3 or Me3SiN3 gave transient imides that immediately reacted with a second equivalent of the azide to give AriPr8Al[(NAd)2N2] (2) or AriPr8Al(N3){N(SiMe3)2} (3).
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We thank the US National Science Foundation (CHE156551) for supporting this work and for the purchase of a dual source X-ray diffractometer (CHE-0840444). This project received funding from the European Research Council under the European Union’s Horizon 2020 research and innovation programme (grant agreement #772510 to H.M.T.).Lisenssi
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