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

Journal Article · · Journal of the American Chemical Society
; ;  [1]; ; ;  [2]; ;  [3]
  1. Univ. of South Carolina, Columbia, SC (United States)
  2. Texas A&M Univ., College Station, TX (United States)
  3. Pacific Northwest Lab., Richland, WA (United States)
All possible mixed-ligand complexes of the formula LL`Cd L,L` = [HB(pz){sub 3}]{sup -}, [HB(3,5-Me{sub 2}pz){sub 3}]{sup -}, [B(pz){sub 4}]{sup -}, [HB(3-Phpz){sub 3}]{sup -} (pz = pyrazolyl) were prepared by the reaction of a 1/1/1 molar ratio of the desired ligand salts and CdCl{sub 2}. The new symmetrical complex [(3-Phpz){sub 3}]{sub 2}Cd was prepared from 2 equiv of the ligand salt and CdCl{sub 2}. The solid state structures of [HB(pz){sub 3}]{sub 2}Cd (1), [HB(3-Phpz){sub 3}]{sub 2}Cd (4), and [B(pz){sub 4}]Cd[HB(3-Phpz){sub 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 {sup 113}Cd NMR chemical shifts for complexes containing the [HB(3-Phpz){sub 3}]{sup -} are substantially more shielded than the other complexes in the series. A regression analysis of the solution {sup 113}Cd NMR chemical shifts for all these complexes for the shift caused by each ligand relative to Cd(ClO{sub 4}){sub 2} shows a good correlation of the calculated and observed chemical shifts of these complexes. 28 refs., 9 figs., 5 tabs.
Sponsoring Organization:
USDOE
DOE Contract Number:
FG06-89ER75522; AC06-76RL01830
OSTI ID:
171499
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 44 Vol. 117; ISSN JACSAT; ISSN 0002-7863
Country of Publication:
United States
Language:
English