Isolation and structural characterization of tetra-n-propyl zirconate in hydrocarbon solution and the solid state

Inorg Chem. 2001 Nov 5;40(23):5738-46. doi: 10.1021/ic010776g.

Abstract

Tetra-n-propyl zirconate has been purified by vacuum distillation and isolated as an extremely moisture sensitive, crystalline solid. According to a single-crystal X-ray diffraction study, crystalline tetra-n-propyl zirconate is composed of tetrameric Zr(4)(OPr(n))(16) (1) molecules whose Zr(4)O(16) metal-oxygen core structure has virtual C(2)(h) symmetry, the same structure observed previously for n-alkyl orthotitanates. Carbon-13 NMR spectroscopic data indicate that this core structure is retained in hydrocarbon solution. Molecule 1 has the same M(4)O(16) metal-oxygen core structure as [CH(3)C(CH(2)O)(3)](2)M(4)(OPr(i))(10), M = Ti, where the metal centers have octahedral coordination geometry, but a metal-oxygen core structure different from that of the M = Zr case, where trigonal metaprismatic coordination geometry is observed.

Publication types

  • Comparative Study
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Carbon / chemistry
  • Chemical Phenomena
  • Chemistry, Physical
  • Hydrocarbons / chemistry
  • Models, Chemical
  • Molecular Conformation
  • Nuclear Magnetic Resonance, Biomolecular
  • Organometallic Compounds / chemical synthesis
  • Organometallic Compounds / chemistry*
  • Zirconium / chemistry*

Substances

  • Hydrocarbons
  • Organometallic Compounds
  • Carbon
  • tetra-n-propyl zirconate
  • Zirconium