DOI: 10.1002/mrc.5002 

An experimental and computational NMR study of organometallic nine‐membered rings: Trinuclear silver(I) complexes of pyrazolate ligands

This work reports the calculation of the nuclear magnetic resonance (NMR) chemical shifts of eight trinuclear Ag(I) complexes of pyrazolate ligands using the relativistic program ZORA. The data from the literature concern exclusively ¹H, ¹³C, and ¹⁹F nuclei. For this reason, one of the complexes that is derived from 3,5‐bis‐trifluoromethyl‐1H‐pyrazole has been studied anew, and the ¹⁵N and ¹⁰⁹Ag chemical shifts determined for the first time in solution. Solid‐state NMR data of this compound have been obtained for some nuclei (¹H, ¹³C, and ¹⁹F) but not for others (¹⁴N, ¹⁵N, and ¹⁰⁹Ag).