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(M = Zr or Hf): Early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding

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cris.virtual.departmentIndian Institute of Technology, Madras
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cris.virtualsource.author-orcid352e94a5-4f83-4b0d-8c45-49196f8fb30e
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cris.virtualsource.department352e94a5-4f83-4b0d-8c45-49196f8fb30e
dc.contributor.authorDe, Anangsha
dc.contributor.authorZhang, Qian Fan
dc.contributor.authorMondal, Bijan
dc.contributor.authorCheung, Ling Fung
dc.contributor.authorKar, Sourav
dc.contributor.authorSaha, Koushik
dc.contributor.authorVarghese, Babu
dc.contributor.authorWang, Lai Sheng
dc.contributor.authorGhosh, Sundargopal
dc.date.accessioned2023-09-19T14:43:10Z
dc.date.available2023-09-19T14:43:10Z
dc.date.issued21-02-2018
dc.description.abstractAmong the series of stable closo-borate dianions, [BnHn]2-, the X-ray crystallographic structure of [B7H7]2- was determined only in 2011. To explore its chemistry and stability, we have isolated and structurally characterized two new transition metal complexes of the heptaborane, [(Cp2M)2B9H11] (Cp = η5-C5H5; M = Zr or Hf). The structures of [(Cp2M)2B9H11] contain a pentagonal bipyramidal B7 core, coordinated by two {Cp2M} and two {BH2} units equatorially. Structural and spectroscopic characterizations and DFT calculations show that [(Cp2M)2B9H11] complexes are substantially more stable than the parent dianion, in either [B7H7]2- or (nBu4N)2[B7H7]. Our theoretical study and chemical bonding analyses reveal that the surprising stability of the two new heptaborane metal complexes is due to multi-center covalent bonds related to the two exo-{Cp2M} units, as well as electrostatic interactions between the {Cp2M} units and the B7 core. The facile syntheses of the heptaborane metal-complexes will allow further exploration of their chemistry.
dc.identifier.doi10.1039/c7sc05014c
dc.identifier.issn20416520
dc.identifier.scopus2-s2.0-85042184813
dc.identifier.urihttps://apicris.irins.org/handle/IITM2023/28878
dc.relation.ispartofseriesChemical Science
dc.sourceChemical Science
dc.title(M = Zr or Hf): Early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding
dc.typeJournal
dspace.entity.typePublication
oaire.citation.endPage1981
oaire.citation.issue7
oaire.citation.startPage1976
oaire.citation.volume9
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oairecerif.author.affiliationIndian Institute of Technology, Madras
person.affiliation.cityChennai
person.affiliation.cityProvidence
person.affiliation.id60025757
person.affiliation.id60011460
person.affiliation.nameIndian Institute of Technology Madras
person.affiliation.nameBrown University
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