Distortions from trigonal prismatic geometry for several structurally characterized clathrochelate complexes: Significance of π-backbonding on clathrochelate coordination geometry

Stephen A. Kubow, Kenneth J. Takeuchi, Joseph J. Grzybowski, Alan J. Jircitano, Virgil L. Goedken

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46 Scopus citations

Abstract

The crystallographic data for several clathrochelate complexes of the form [M(NOX)3(B-n-Bu)2] (where M = Co, Fe, Ru; NOX = 1,2-cyclohexanedione dioximato (C6H8N2O2); n-Bu = n-butyl) are presented. The data display an unexpected trend in distortion from trigonal prismatic geometry (Co(7.0°) <Ru(12.0°) <Fe(20.3°) ), which is different from that predicted by ligand field stabilization energy (LFSE) factors (Co<Fe<Ru). It appears that LFSE considerations in combination with π-backbonding effects are necessary to interpret the θ values of the three complexes, where the unusually small distortion for the ruthenium complex is a result of strong π-backbonding, evidenced by the unusually short Ru-Nav distance (1.972(4) Å). Crystal data: all three compounds are monoclinic, space group C2/c. Compound CoC26H42B2N6O6: a=22.878(6), b=15.026(2), c=18.047(6) Å, β=109.95(2)°, V=5831.6(5) Å3, Z=8, R=5.9, Nobs=3346. Compound FeC26H42B2N6O6: a=23.046(3), b=14.920(2), c=18.064(4) Å, β=107.87(2)°, V=5911.6(5) Å3, Z=8, R=5.4, Nobs=4681. Compound RuC26H42B2N6O6: a=22.966(5), b=14.951(2), c=18.125(6) Å, β=107.39(2)°, V=5942(6) Å3, Z=8, R=4.4, Nobs=4493.

Original languageEnglish (US)
Pages (from-to)21-30
Number of pages10
JournalInorganica Chimica Acta
Volume241
Issue number2
DOIs
StatePublished - Jan 15 1996

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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