Title of article :
How strong is the Ag+–ligand bond?
Author/Authors :
Ma، نويسنده , , N.L، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Pages :
9
From page :
230
To page :
238
Abstract :
A computationally efficient method for calculating the affinity of the silver ion for C-, H-, N-, O- and S-containing ligands is proposed. The silver affinities of 18 ligands and the geometries of these complexes are reported. By comparing with experimental data, the root-mean-square error of this method is found to be 8 kJ mol−1. Our results suggest that even though the interaction between Ag+ and the ligands studied is predominantly electrostatic in nature, covalent interaction is important in determining the relative ligand affinity and geometry of the complexes.
Journal title :
Chemical Physics Letters
Serial Year :
1998
Journal title :
Chemical Physics Letters
Record number :
1775944
Link To Document :
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