A1 Journal article (refereed)
A Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding : Bonding Analysis and Dispersion Energy Stabilization (2021)

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

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Publication details

All authors or editorsQueen, Joshua D.; Irvankoski, Sini; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.

Journal or seriesJournal of the American Chemical Society



Publication year2021

Publication date21/04/2021


Issue number17

Pages range6351-6356

PublisherAmerican Chemical Society (ACS)

Publication countryUnited States

Publication languageEnglish


Publication open accessOpenly available

Publication channel open accessPartially open access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/76290


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).

Keywordschemical compoundscoordination complexesaluminium

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Ministry reportingYes

Reporting Year2021

JUFO rating3

Last updated on 2024-03-04 at 20:16