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Titanocene pnictinidene complexes.

Malte Fischer1, Fabian Reiß1, Christian Hering-Junghans1

  • 1Leibniz-Institut für Katalyse e.V. (LIKAT Rostock), Albert-Einstein-Straße 29a, Rostock 18059, Germany. fabian.reiss@catalysis.de christian.hering-junghans@catalysis.de.

Chemical Communications (Cambridge, England)
|May 14, 2021
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Summary
This summary is machine-generated.

New titanocene complexes with terminal phosphinidene and arsinidene ligands were synthesized using phospha-Wittig and arsa-Wittig reagents. Ab initio studies confirm their ground state as singlet biradicaloids.

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Area of Science:

  • Organometallic Chemistry
  • Inorganic Chemistry
  • Computational Chemistry

Background:

  • The synthesis of transition metal complexes with low-coordinate main group elements is a significant challenge in inorganic chemistry.
  • Phosphinidene and arsinidene ligands are highly reactive species that are difficult to isolate and characterize.

Purpose of the Study:

  • To synthesize novel titanocene complexes featuring terminal phosphinidene and arsinidene ligands.
  • To investigate the electronic structure and bonding of these novel complexes using computational methods.

Main Methods:

  • The phospha-Wittig reagent MesTerPPMe3 and arsa-Wittig reagent DipTerAsPMe3 were utilized for the synthesis.
  • Ab initio computational studies were performed to analyze the electronic properties of the synthesized complexes.

Main Results:

  • Novel titanocene complexes, Cp2Ti(PMe3)PnAr (Pn = P, As), were successfully synthesized.
  • Ab initio studies indicated that these complexes exist as singlet biradicaloids in their ground state.

Conclusions:

  • The successful synthesis of titanocene complexes with terminal phosphinidene and arsinidene ligands expands the scope of low-coordinate main group element chemistry.
  • The characterization as singlet biradicaloids provides new insights into the bonding and reactivity of these unusual species.