Versatile Coordination Modes in Silver-Imidazolecarbaldehyde Oxime Complexes: Structural and Computational Analysis

Abstract

6) were structurally and computationally analyzed. Weak intramolecular interactions were found to play the main role in determining the most favorable structure of the free ligands, therefore controlling the final coordination mode, and the nuclearity of the complexes. Further information on the nature of the intra-and intermolecular interactions were provided utilizing computational density functional theory calculations and topological charge density analysis according to the Quantum Theory of Atoms in Molecules. The efficient control of the structure of the complexes also results in a better control of the material properties.

Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

“…All oxygens are involved in Ag-O coordination, which is not entirely electrostatic in nature, but shows some electron sharing at the corresponding BCP (|V|/G > 1). A similar kind of bridging interaction of the NO3ions was previously found in silver imidazole oxime complex [Ag(1H-5-methylimidazole-4-carbaldehyde oxime)]2[NO3]2 44.…”

Topological Analysis of Ag–Ag and Ag–N Interactions in Silver Amidinate Precursor Complexes of Silver Nanoparticles

“…25 For the Ag-Ag interaction in 1, the values of Vbcp/Gbcp are also in the intermediate interactions 37 and of very similar argentophilic interactions to the one in 2, in silverimidazolecarbaldehyde oxime complexes. 26 Although the relative strength of argentophilic and cuprophilic interactions has been the subject of debates, 38 it is noticeable that the present argentophilic interactions appear to be stronger than the cuprophilic interactions already reported for the parent dinuclear copper-(N,N'diisopropylacetamidinate) complex. 25 Stronger argentophilic bonds as compared to cuprophilic ones, may be explained by a higher participation of Ag s orbitals, owing to relativistic effects.…”

“…24 The latter topological analyses have been shown to be unique theoretical tools for chemical bonding analysis. 25 QTAIM analyses of related silver complexes have been already reported, 26 but joint QTAIM and ELF analyses will be described hereafter for the first time, in order to finely characterize metal-ligand and metal-metal interactions and tentatively understand their role, in the various nuclearities and silver arrangement in the 1-4 series. The synthesis and X-ray diffraction characterization of tetranuclear complex 3 will be first described.…”

Topological analysis of the metal-metal bond: A tutorial review

“…Weak covalent Pd(II)-Pd(II) or Ag(I)-Ag(I) interactions were recently characterized by QTAIM analysis by Ofredi et al [306,307]. The covalent character and the strength of the M-M bond were estimated from the QTAIM energy densities at the bond critical point and were shown to increase upon oxidation of one or both metallic centres.…”