The crystal structure, quadrupole coupling parameters, and the orientation of the electric field gradient tensors for each site of zinc formate dihydrate have been determined. The two solid state NMR lineshapes have been assigned to their respective sites using isotopic labeling and cross polarization methods. The hydrated site corresponds to the quadrupole coupling constant (Cq) of 9.6 MHz and the anhydrous site has a Cq of 6.2 MHz. The absence of chemical shielding contributions has been verified with a high field solid state NMR experiment at 18.8 T.
Revised: January 18, 2002 |
Published: December 27, 2001
Citation
Lipton A.S., M.D. Smith, R.D. Adams, and P.D. Ellis. 2001.67Zn Solid-State and Single-Crystal NMR Spectroscopy and X-ray Crystal Structure of Zinc Formate Dihydrate.Journal of the American Chemical Society 124, no. 3:410-414. PNWD-SA-5442.