Experimental and ab-initio structural study of the ketotin compounds, X3SnCR2CH2COMe. Crystal structures of X3SnCMe2CH2COMe (X = Cl and I)

B. R. Milne, R. P. Pereira, A. M. Rocco, Janet Mabel Scott Skakle, A. J. Travis, J. L. Wardell, S. M. S. V. Wardell

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8 Citations (Scopus)

Abstract

The MeCOCH2CMe2 ligand in X3SnCMe2CH2COMe (2; X = halide) acts as a C,O-chelating group both in the solid state and in non-coordinating solutions. The intramolecular Sn-O bond lengths in trigonal bipyramidal 2 (X = Cl and 1), as determined by X-ray crystallography, indicate that the stronger interaction occurs in 2 X - Cl. Comparisons with the Sn-O bond lengths in the estertin trihalides, X3SnCH2CH2CO2R (1; R - Me), suggest that the latter form stronger chelates than do 2. In chlorocarbon solution, 2 (X = Cl, I) undergoes exchange reactions, as shown by NMR spectra, to give all possible halide derivatives, Sigma(ClnI3-nSnCMe2CH2COMe) (n = 0-3). Various ab initio calculations on 2 and X3SnCH2CH2COMe (3) have been carried out. Comparisons of the theoretical and experimental structures of 2 for X = Cl or I are reported. Copyright (c) 2005 John Wiley & Sons, Ltd.

Original languageEnglish
Pages (from-to)363-371
Number of pages8
JournalApplied Organometallic Chemistry
Volume19
DOIs
Publication statusPublished - 2005

Keywords

  • chelate complexes
  • organotin compounds
  • crystallography
  • ketotin compounds
  • ab initio calculations
  • SUBSTITUTED ALKYLTIN HALIDES
  • BETA-ALKOXYCARBONYLETHYLTIN TRICHLORIDES
  • SCHIFF-BASE LIGANDS
  • SPECTROSCOPIC ASPECTS
  • ELECTRONIC-STRUCTURE
  • MOLECULAR-GEOMETRY
  • LEWIS ACIDITY
  • COMPLEXES
  • ESTERTIN
  • TIN

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