Mostrar el registro sencillo del ítem

Spherical Aromaticity of All-Metal [Bi@In8Bi12]3−/5− Clusters

dc.contributor.authorTkachenko N.V.
dc.contributor.authorZhang X.-W.
dc.contributor.authorQiao L.
dc.contributor.authorShu C.-C.
dc.contributor.authorSteglenko D.
dc.contributor.authorMuñoz-Castro A.
dc.contributor.authorSun Z.-M.
dc.contributor.authorBoldyrev A.I.
dc.date.accessioned2020-09-02T22:29:15Z
dc.date.available2020-09-02T22:29:15Z
dc.date.issued2020
dc.identifier10.1002/chem.201905264
dc.identifier.citation26, 9, 2073-2079
dc.identifier.issn09476539
dc.identifier.urihttps://hdl.handle.net/20.500.12728/6386
dc.descriptionThe chemical bonding of Zintl clusters is still an evolving and hot topic in modern chemistry. In this paper we synthesized a novel [K([2.2.2]crypt)]4[In8Bi13] complex in a condensed phase. The quantum chemical calculations and X-ray data revealed that the compound consists of the 1:1 mixture of [Bi@In8Bi12]3− and [Bi@In8Bi12]5− clusters. To the date, those clusters are the largest binary clusters composed of In and Bi elements. Herein, we introduce a spherical aromatic description of chemical bonding for such clusters. We show through AdNDP, ELF, and induced magnetic field and quantitative NICS analyzes that both clusters are spherically aromatic which explains their high symmetry, stability, and peculiar magnetic properties. We believe that this work will help researchers in the further development and understanding of chemical bonding in Zintl clusters. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subjectchemical bonding analysis
dc.subjectdensity functional calculations
dc.subjectspherical aromaticity
dc.subjectX-ray diffraction
dc.subjectZintl anions
dc.subjectarticle
dc.subjectdensity functional theory
dc.subjectmagnetic field
dc.subjectquantitative analysis
dc.subjectX ray
dc.titleSpherical Aromaticity of All-Metal [Bi@In8Bi12]3−/5− Clusters
dc.typeArticle


Ficheros en el ítem

Thumbnail
Nombre:
item_2-s2.0-85078916984.pdf
Tamaño:
2.474Kb
Formato:
PDF
Ver/

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem