Learning Centre

Silicon clusters with six and seven unsubstituted vertices

 |  Login

Show simple item record

dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Schiegerl, Lorenz J.
dc.contributor.author Karttunen, Antti J.
dc.contributor.author Klein, Wilhelm
dc.contributor.author Fässler, Thomas F.
dc.date.accessioned 2019-11-15T08:13:00Z
dc.date.available 2019-11-15T08:13:00Z
dc.date.issued 2019-01-01
dc.identifier.citation Schiegerl , L J , Karttunen , A J , Klein , W & Fässler , T F 2019 , ' Silicon clusters with six and seven unsubstituted vertices : Via a two-step reaction from elemental silicon ' , Chemical Science , vol. 10 , no. 39 , pp. 9130-9139 . https://doi.org/10.1039/c9sc03324f en
dc.identifier.issn 2041-6520
dc.identifier.issn 2041-6539
dc.identifier.other PURE UUID: ed4e695c-a01b-4ce5-ae49-2370e3574192
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/ed4e695c-a01b-4ce5-ae49-2370e3574192
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=85073446081&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/38450092/Schiegerl_2019_Silicon_clusters_with_six_and_seven_unsubstituted_vertices.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/41279
dc.description.abstract Unsaturated silicon clusters with only partial substitution, and thus, "naked" Si atoms are well studied species as they are proposed intermediates in gas-phase deposition processes. Although a remarkable number of stable molecular clusters has been reported, they are typically still obtained by multi-step syntheses. Herein we introduce a newly developed synthetic approach which led to the formation of the anionic species {Si(TMS)3}3Si9- (1a) and {Si(TMS)3}2Si92- (1b), and an extension of this synthetic protocol resulted in the first covalent attachment of ligands through metal atoms to these clusters, (SnCy3)3Si9- (2a) and (SnCy3)2Si92- (2b). The influence of the substituents on the electron localization in the central Si9 unit is analyzed by means of intrinsic bond orbital (IBO) analysis and partial atomic charge distribution. The IBO analyses reveal a new type of delocalization including 5-center-6-electron besides 3-center-2-electron bonds. The Raman spectra of 1b and 2b allow an assignment of the Si-Si intra-cluster vibrations by comparison to calculated (DFT-PBE0) spectra. The anions are formed in a one-step synthesis from binary K12Si17 which can easily be obtained by fusing the elements K and Si. The anions are characterized by ESI mass spectrometry and comprehensive NMR studies (1H, 13C, 29Si, 119Sn). Attempts to crystallize 1a and 2a as their (K-222crypt)+ salts yielded after the loss of one of the substituents single crystals containing 1b and 2b. The single crystal X-ray structure analyses reveal the presence of anionic siliconoids with surfaces of seven unsubstituted silicon atoms. en
dc.format.extent 10
dc.format.extent 9130-9139
dc.format.mimetype application/pdf
dc.language.iso en en
dc.publisher Royal Society of Chemistry
dc.relation.ispartofseries Chemical Science en
dc.relation.ispartofseries Volume 10, issue 39 en
dc.rights openAccess en
dc.title Silicon clusters with six and seven unsubstituted vertices en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Technische Universität München
dc.contributor.department Department of Chemistry and Materials Science
dc.identifier.urn URN:NBN:fi:aalto-201911156284
dc.identifier.doi 10.1039/c9sc03324f
dc.type.version publishedVersion

Files in this item

Files Size Format View

There are no open access files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search archive

Advanced Search

article-iconSubmit a publication