Solution-state NMR and X-ray crystallography were used to investigate the complexation of Hg(II) by the tridentate ligand bis [(2-pyridyl)methyl]amine (BMPA). Mercury coordination compounds exhibiting rarely observed solutionstate NMR 1 H 199 Hg satellites were characterized. Temperature and concentration effects on solution-state NMR properties were investigated. The solution-state NMR were correlated with two solid-state structures. The distorted trigonal prismatic complex [Hg(BMPA) 2 ](ClO 4 ) 2 ‚0.5toluene (1) crystallizes in the triclinic space group P1 h with a ) 10.953(5) Å, b ) 12.812(5) Å, c ) 13.006(5) Å, R ) 67.50(3)°, β ) 82.74(3)°, γ ) 67.88(3)°, and Z ) 2. The Hg-N amine bonds are 2.404(4) and 2.350(4) Å and the Hg-N pyridyl bond lengths are similar, ranging from 2.352(4) to 2.557(5) Å. Solution NMR studies are consistent with rapid equilibrium between isomeric trigonal prismatic and facial octahedral forms of this complex. A twisting mechanism is proposed to mediate interconversion. The distorted square planar complex [Hg(BMPA)NCCH 3 ](ClO 4 ) 2 ( 7) crystallizes in the monoclinic space group P2 1 /c with a ) 12.987(2) Å, b ) 17.469(4) Å, c ) 8.886(2) Å, β ) 95.200(12)°, and Z ) 4. The Hg-N amine distance is 2.403 Å, the average Hg-N pyridyl distance is 2.23 Å, and the Hg-N nitrile distance is 2.229 Å. The BMPA ligand is bound to Hg(II) in a meridional fashion with a solvent molecule in the same plane and close associations to two axial perchlorates with Hg-O distances of 2.707(7) and 2.90(2) Å. Solution NMR studies support limited dynamics for a cation with similar interactions between BMPA and Hg(II).
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