Charged Si9 Clusters in Neat Solids and the Detection of [H2Si9]2− in Solution

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Schiegerl, Lorenz J. Karttunen, Antti J. Tillmann, Jan Geier, Sebastian Raudaschl-Sieber, Gabriele Waibel, Markus Fässler, Thomas F. 2019-01-14T09:21:12Z 2019-01-14T09:21:12Z 2018-09-24
dc.identifier.citation Schiegerl , L J , Karttunen , A J , Tillmann , J , Geier , S , Raudaschl-Sieber , G , Waibel , M & Fässler , T F 2018 , ' Charged Si 9 Clusters in Neat Solids and the Detection of [H 2 Si 9 ] 2− in Solution : A Combined NMR, Raman, Mass Spectrometric, and Quantum Chemical Investigation ' Angewandte Chemie - International Edition , vol. 57 , no. 39 , pp. 12950-12955 . DOI: 10.1002/anie.201804756 en
dc.identifier.issn 1433-7851
dc.identifier.issn 1521-3773
dc.identifier.other PURE UUID: 552f2799-d87e-44ac-923c-28de32796e4a
dc.identifier.other PURE ITEMURL:
dc.identifier.other PURE LINK:
dc.identifier.other PURE FILEURL:
dc.description.abstract Polyanionic silicon clusters are provided by the Zintl phases K4Si4, comprising [Si4]4− units, and K12Si17, consisting of [Si4]4− and [Si9]4− clusters. A combination of solid-state MAS-NMR, solution NMR, and Raman spectroscopy, electrospray ionization mass spectrometry, and quantum-chemical investigations was used to investigate four- and nine-atomic silicon Zintl clusters in neat solids and solution. The results were compared to 29Si isotope-enriched samples. 29Si-MAS NMR and Raman shifts of the phase-pure solids K4Si4 and K12Si17 were interpreted by quantum-chemical calculations. Extraction of [Si9]4− clusters from K12Si17 with liquid ammonia/222crypt and their transfer to pyridine yields in a red solid containing Si9 clusters. This compound was characterized by elemental and EDX analyses and 29Si-MAS NMR and Raman spectroscopy. Charged Si9 clusters were detected by 29Si NMR in solution. 29Si and 1H NMR spectra reveal the presence of the [H2Si9]2− cluster anion in solution. en
dc.format.extent 6
dc.format.extent 12950-12955
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Angewandte Chemie - International Edition en
dc.relation.ispartofseries Volume 57, issue 39 en
dc.rights openAccess en
dc.subject.other Catalysis en
dc.subject.other Chemistry(all) en
dc.subject.other 116 Chemical sciences en
dc.title Charged Si9 Clusters in Neat Solids and the Detection of [H2Si9]2− in Solution en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Technical University of Munich
dc.contributor.department Department of Chemistry and Materials Science
dc.contributor.department Wacker Chemie AG
dc.subject.keyword cluster compounds
dc.subject.keyword isotope enrichment
dc.subject.keyword NMR spectroscopy
dc.subject.keyword quantum chemical calculations
dc.subject.keyword silicon
dc.subject.keyword Catalysis
dc.subject.keyword Chemistry(all)
dc.subject.keyword 116 Chemical sciences
dc.identifier.urn URN:NBN:fi:aalto-201901141138
dc.identifier.doi 10.1002/anie.201804756 info:eu-repo/date/embargoEnd/2019-08-06

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