Ground-State Interactions between Ruthenium(II)−Diimine Complexes and Phenol and Monochlorophenols in Aqueous Solution

Ground-state interactions between Ru(bpy)3 2+ (bpy = 2,2‘-bipyridine) or Ru(bpz)3 2+ (bpz = 2,2‘-bipyrazine) and phenol (PhOH) or monochlorophenols (ClPhOH) have been investigated in aqueous (D2O) solution by NMR. The upfield shifts of the resonances and the NOE difference spectra of the complexes i...

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Bibliographic Details
Published in:Inorganic chemistry 1998-06, Vol.37 (12), p.3078-3082
Main Authors: Li, Cang, Hoffman, Morton Z, Pizzocaro, Christine, Maihot, Gilles, Bolte, Michèle
Format: Article
Language:English
Subjects:
Chemical Sciences
or physical chemistry
Theoretical and
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Summary:Ground-state interactions between Ru(bpy)3 2+ (bpy = 2,2‘-bipyridine) or Ru(bpz)3 2+ (bpz = 2,2‘-bipyrazine) and phenol (PhOH) or monochlorophenols (ClPhOH) have been investigated in aqueous (D2O) solution by NMR. The upfield shifts of the resonances and the NOE difference spectra of the complexes in the presence of the phenols indicate the presence of offset face-to-face π-stacking interactions between the phenol and the aromatic ligands. Electron withdrawal from the phenol ring by the monochloro substituent and less effective solvation by aqueous (compared to acetonitrile) media favor the interaction. The formation constant for the 1:1 Ru(bpy)3 2+−PhOH complex is estimated to be ∼0.01 M-1; K is smaller for Ru(bpz)3 2+ than for Ru(bpy)3 2+, and it increases for both complexes in the order PhOH < 4-ClPhOH < 3-ClPhOH < 2-ClPhOH.
ISSN:0020-1669
1520-510X
DOI:10.1021/ic971471y