The reactivity of CuX2 (X- = Cl-, Br-, MeCO-2) salts towards tris-pyrazolyl-borates of differing steric requirements. The single crystal X-ray structure of [CuCl(pzPhH)(HB{pzPh}3)] · CH2Cl2

Malcolm A. Halcrow, John E. Davies, Paul R. Raithby

Research output: Contribution to journalArticlepeer-review

1 Citation (SciVal)

Abstract

Treatment of CuX2 (X- = Cl-, Br-) with one molar equivalent of K[HB{pzPh}3] (pzPhH = 3-phenylpyrazole) in CH2Cl2: MeCN (4: 1) at room temperature afforded [CuX(pzPhH)(HB{pzPh}3)] (X = Cl , I; X- = Br-, II) in moderate to good yields. The crystal structure of the title compound shows a square-pyramidal copper(II) centre, with Cu - Cl = 2.2740(13) Å and Cu - N = 2.010(3), 2.031(3), 2.038(3), 2.241(3) Å. The complex exhibits an intramolecular N - H ⋯ Cl hydrogen bond, with N - H ⋯ Cl = 3.034(4) Å, N - H ⋯ Cl = 119.4°, and an intramolecular graphitic interaction between the pzPhH pyrazole ring and a phenyl group from the tripodal ligand. Steric repulsions between this phenyl group and the bound Cl- cause substantial distortions from an ideal square-pyramidal geometry. Reaction of K[HB{pzPh}3] with Cu2(O2CMe)4 · 2H2O yields [Cu(O2CMe)(HB{pzPh}3)] (III). The EPR and UV-vis spectroscopic properties of I-III are consistent with a {dx2-y2}1 configuration at copper.

Original languageEnglish
Pages (from-to)1535-1541
Number of pages7
JournalPolyhedron
Volume16
Issue number9
DOIs
Publication statusPublished - 31 Dec 1997

Keywords

  • B - N cleavage
  • Copper
  • Crystal structure
  • Tris-pyrazolylborate

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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