Stability of cyclopentadienyl aryloxide complexes of calcium and barium

Melanie J. Harvey, David J. Burkey, Stephen C. Chmely, Timothy P. Hanusa

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

The synthesis of mono(cyclopentadienyl)aryloxide complexes of calcium and barium has been investigated. The reaction of ICa(ODipp)(thf)4 (Odipp = [2,6-iPr-OC6H3O]-) with K[C5Me5], (Cp3Si)2Ca (Cp3Si = C5(SiMe3)3H2) with K[ODipp], and IBa(BHT)(thf)3 (BHT = [2,6-tBu-4-Me-C6H2O]-) with K[C5Me5] in THF produces Cp*Ca(Odipp)(thf)3, (Cp3Si)Ca(Odipp)(thf)2, and Cp*Ba(BHT)(thf), respectively. The crystal structures of the two monomeric calcium complexes are reported. All three compounds are stable against Schlenk rearrangement in THF and aromatic solvents. DFT calculations suggest that the presence of THF has less of an effect on the thermodynamics of Schlenk rearrangements of the aryloxide systems than it does on comparable Cp′CaI compounds.

Original languageEnglish (US)
Pages (from-to)528-532
Number of pages5
JournalJournal of Alloys and Compounds
Volume488
Issue number2
DOIs
StatePublished - Dec 4 2009

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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