posted on 2001-12-27, 00:00authored byAndrew S. Lipton, Mark D. Smith, Richard D. Adams, Paul D. Ellis
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. There are two distinct sites
in the asymmetric unit: one containing four in-plane waters with two bridging formats, the other containing
six bridging formates. The solid-state NMR lineshapes have been assigned to their respective sites by
using isotopic labeling and cross-polarization methods. The hydrated site corresponds to the lineshape
having a 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 to the observed lineshapes has been verified with a high-field
solid-state NMR experiment performed at 18.8 T.