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Experimental multinuclear determination of the chemical shifts, especially 15 N and 109 Ag, of five silver(I) trinuclear pyrazolate complexes, (PzAg) 3 , coupled with ZORA (zeroth-order regular approximation) and GIAO… Click to show full abstract
Experimental multinuclear determination of the chemical shifts, especially 15 N and 109 Ag, 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.
Journal Title: Structural Chemistry
Year Published: 2020
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