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

Authors :
Fujisawa, Kiyoshi
Okano, Mitsuki
Martín-Pastor, Manuel
López-Sánchez, Rubén
Elguero, José
Alkorta, Ibon
Source :
Structural Chemistry; 2021, Vol. 32 Issue 1, p215-224, 10p
Publication Year :
2021

Abstract

Experimental multinuclear determination of the chemical shifts, especially <superscript>15</superscript>N and <superscript>109</superscript>Ag, of five silver(I) trinuclear pyrazolate complexes, (PzAg)<subscript>3</subscript>, 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)<subscript>3</subscript> was examined using NICS (nucleus-independent chemical shift) and ACID (anisotropy of the induced current density) approaches reaching the conclusion of its absence. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10400400
Volume :
32
Issue :
1
Database :
Complementary Index
Journal :
Structural Chemistry
Publication Type :
Academic Journal
Accession number :
147888935
Full Text :
https://doi.org/10.1007/s11224-020-01661-2