Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands

Danila Vasilchenko, Sofia Vorobieva, Iraida Baidina, Dmitry Piryazev, Athanassios Tsipis, Sergey Korenev

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

A novel rhodium [Rh(NO3)5]2− anionic complex with mixed denticity of nitrato ligands was isolated in a form of its poorly soluble caesium salt. The structure of the salt was studied by an X-ray single crystal method. DFT-based theoretical studies were carried out to gain insights into the electronic structure and the properties of the [Rh(NO3)5]2− complex. The calculated 15N NMR chemical shifts of nitrato groups in [Rh(NO3)5]2− complex was found to become sensitive to the nitrate ligand coordination bonding mode upon ion-pairing with caesium cations. In good agreement with experimental findings, the DFT calculated free energies for the addition of H2O or NO3 ligands to the [Rh(NO3)5]2− complex points to its low hydrolytic stability.

Original languageEnglish
Pages (from-to)69-74
Number of pages6
JournalPolyhedron
Volume147
DOIs
Publication statusPublished - 1 Jun 2018

Keywords

  • DFT
  • Nitrato complexes
  • NMR
  • Rhodium
  • NMR CHEMICAL-SHIFTS
  • PBE0 MODEL
  • FISSION PLATINOIDS
  • ADJUSTABLE-PARAMETERS
  • NITRIC-ACID

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