Show simple item record

dc.contributor.authorQueen, Joshua D.
dc.contributor.authorIrvankoski, Sini
dc.contributor.authorFettinger, James C.
dc.contributor.authorTuononen, Heikki M.
dc.contributor.authorPower, Philip P.
dc.date.accessioned2021-06-07T07:43:53Z
dc.date.available2021-06-07T07:43:53Z
dc.date.issued2021
dc.identifier.citationQueen, 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. <i>Journal of the American Chemical Society</i>, <i>143</i>(17), 6351-6356. <a href="https://doi.org/10.1021/jacs.1c02463" target="_blank">https://doi.org/10.1021/jacs.1c02463</a>
dc.identifier.otherCONVID_68034839
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/76290
dc.description.abstractThe 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).en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesJournal of the American Chemical Society
dc.rightsCC BY-NC-ND 4.0
dc.titleA Monomeric Aluminum Imide (Iminoalane) with Al–N Triple-Bonding : Bonding Analysis and Dispersion Energy Stabilization
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202106073506
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineEpäorgaaninen kemiafi
dc.contributor.oppiaineNanoscience Centeren
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.contributor.oppiaineInorganic Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.format.pagerange6351-6356
dc.relation.issn0002-7863
dc.relation.numberinseries17
dc.relation.volume143
dc.type.versionpublishedVersion
dc.rights.copyright© 2021 American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber772510
dc.relation.grantnumber772510
dc.relation.projectidinfo:eu-repo/grantAgreement/EC/H2020/772510/EU//SMAC-MC
dc.subject.ysoalumiini
dc.subject.ysokompleksiyhdisteet
dc.subject.ysokemialliset yhdisteet
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p19563
jyx.subject.urihttp://www.yso.fi/onto/yso/p30190
jyx.subject.urihttp://www.yso.fi/onto/yso/p324
dc.rights.urlhttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.relation.doi10.1021/jacs.1c02463
dc.relation.funderEuroopan komissiofi
dc.relation.funderEuropean Commissionen
jyx.fundingprogramERC Consolidator Grantfi
jyx.fundingprogramERC Consolidator Granten
jyx.fundinginformationWe 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.).


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

CC BY-NC-ND 4.0
Except where otherwise noted, this item's license is described as CC BY-NC-ND 4.0