Struct. Chem. 32, 215–224 (2021)

DOI: 10.1007/s11224-020-01661-2

Multinuclear magnetic resonance studies of five silver(I) trinuclear pyrazolate complexes

Experimental multinuclear determination of the chemical shifts, especially 15N and 109Ag, of five silver(I) trinuclear pyrazolate complexes, (PzAg)3, coupled with ZORA (zeroth-order regular approximation) and GIAO (gauge-independent atomic orbital) calculations, has shed new light on these compounds. An almost complete collection of spin-spin coupling constants has been measured for the first time for several of these compounds. The aromaticity of (PzAg)3 was examined using NICS (nucleus-independent chemical shift) and ACID (anisotropy of the induced current density) approaches reaching the conclusion of its absence.