113Cd shielding tensors of monomeric cadmium compounds containing nitrogen donor atoms. 2. Syntheses, crystal structure, and 113Cd NMR spectroscopy of the six coordinate complexes [HB(pz)3]2Cd, [HB(3-Phpz)3]2Cd, and [B(pz)4]Cd[HB(3-Phpz)3] (pz = pyrazolyl)

Article abstract of DOI:10.1021/ja00149a024

All possible mixed-ligand complexes of the formula LL'Cd (L,L' = [HB(pz)₃]^-, [HB(3,5-Me₂pz)₃]^-, [B(pz)₄]^-, [HB(3-Phpz)₃]^- (pz = pyrazolyl) were prepared by the reaction of a 1/1/1 molar ratio of the desired ligand salts and CdCl₂. The new symmetrical complex [(3-Phpz)₃]₂Cd was prepared from 2 equiv of the ligand salt and CdCl₂. The solid state structures of [HB(pz)₃ ]₂Cd (1), [HB(3-Phpz)₃]₂Cd (4), and [B(pz)₄ ]Cd[HB(3-Phpz)₃] (10) have been characterized by X-ray crystallography. All three are pseudo-octahedral, but the structures of both 4 and 10 are distorted by a rotational movement of one gland relative to the other gland. The solution ¹¹³Cd NMR chemical shifts for complexes containing the [HB(3-Phpz)₃ ]^- are substantially more shielded than the other complexes in the series. A regression analysis of the solution ¹¹³Cd NMR chemical shifts for all these complexes for the shift caused by each ligand relative to Cd(ClO₄)₂ shows a good correlation of the calculated and observed chemical shifts of these complexes.