Eclipsed- and Staggered-[Ge18Pd3{EiPr3}6]2- (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters

dc.contributor.author	Perla L.G.
dc.contributor.author	Muñoz-Castro A.
dc.contributor.author	Sevov S.C.
dc.date.accessioned	2020-09-02T22:25:47Z
dc.date.available	2020-09-02T22:25:47Z
dc.date.issued	2017
dc.identifier	10.1021/jacs.7b08562
dc.identifier.citation	139, 42, 15176-15181
dc.identifier.issn	00027863
dc.identifier.uri	https://hdl.handle.net/20.500.12728/5784
dc.description	We report the synthesis and characterization of the cluster anions [Ge18Pd3{SiiPr3}6]2- (1) with a core of face-fused twinned icosahedra, Ge18Pd3, and two sets of three iPr3Si-substituents positioned in "eclipsed" geometry. The new anion is a positional isomer of the recently reported "staggered" stannyl-ligated counterpart [Ge18Pd3{SniPr3}6]2- (2), showing the possibility to find such positional isomerism in Zintl clusters. Both anions are characterized by single-crystal X-ray diffraction, 1H and 13C NMR, and negative-ion ESI-MS. Using relativistic DFT calculations, we elucidate and discuss the reasons for the different positioning of the ligands in the stannyl- and silyl-functionalized species. © 2017 American Chemical Society.
dc.language.iso	en
dc.publisher	American Chemical Society
dc.title	Eclipsed- and Staggered-[Ge18Pd3{EiPr3}6]2- (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters
dc.type	Article

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