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Metal-Organic cubane cage with trimethylplatinum(IV) vertices

Hendi, Z ; Sharif University of Technology | 2022

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  1. Type of Document: Article
  2. DOI: 10.1021/acs.inorgchem.1c02803
  3. Publisher: American Chemical Society , 2022
  4. Abstract:
  5. Herein we describe the synthesis and characterization of the first platinum(IV) metal-organic cage [(Me3PtIV)8(byp)12](OTf)8 (2), in which the organometallic moieties trimethylplatinum(IV) (PtMe3) occupied the corners of a cubane structure and 4,4′-bipyridine ligands used as linkers. The first-principles density functional theory calculations showed that the highest occupied molecular orbitals were localized on the PtMe3 moieties, while the lowest unoccupied molecular orbitals were distributed on the organic linkers. © 2021 American Chemical Society
  6. Keywords:
  7. Calculations ; Chelation ; Density functional theory ; Molecular orbitals ; Platinum compounds ; Bipyridine ligands ; Cubanes ; Density-functional theory calculations ; First-principle density-functional theories ; Highest occupied molecular orbital ; Localised ; Lowest unoccupied molecular orbital ; Metalorganics ; Organometallic moiety ; Synthesis and characterizations ; Organometallics
  8. Source: Inorganic Chemistry ; Volume 61, Issue 1 , 2022 , Pages 15-19 ; 00201669 (ISSN)
  9. URL: https://pubs.acs.org/doi/10.1021/acs.inorgchem.1c02803