New Molecular Niobium(IV) Complexes NbX 4 (OPPh 3 ) 2 (X = Cl, Br): Synthesis, Crystal and Electronic Structure

P. A. Poltarak, V. Yu Komarov, S. G. Kozlova, V. A. Nadolinnyi, A. A. Poltarak, S. B. Artemkina, V. E. Fedorov

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1 Citation (Scopus)

Abstract

New molecular niobium(IV) complexes NbCl 4 (OPPh 3 ) 2 (1) and NbBr 4 (OPPh 3 ) 2 (2) are synthesized by heating respective niobium pentahalide with a mixture of triphenylphosphine and triphenylphosphine oxide. For the obtained compounds the crystal structure is solved: 1P-1, a = 13.3540(5) Å, b = 9.4461(3) Å, c = 9.5635(3) Å, α = 93.084(1)°, β = 121.263(1)°, γ = 115.058(1)°, Z = 1, R 1 = 0.0194; 2P-1, a = 13.308(2) Å, b = 9.5934(8) Å, c = 9.5556(9) Å, α = 93.975(3),°, β = 119.391(4)°, γ = 114.740(4)°, Z = 1, R 1 = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results.

Original languageEnglish
Pages (from-to)457-465
Number of pages9
JournalJournal of Structural Chemistry
Volume60
Issue number3
DOIs
Publication statusPublished - 1 Mar 2019

Keywords

  • bromide
  • chloride
  • crystal structure
  • EPR spectroscopy
  • niobium
  • synthesis
  • triphenylphosphine oxide
  • TRANSITION-METAL DERIVATIVES
  • ORDER REGULAR APPROXIMATION
  • SPECTRA

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