[{AgL}₂Mo₈O₂₆]^n– complexes: a combined experimental and theoretical study

Abstract

Two sets of silver–molybdate complexes with L = XR3 (X = P, As, Sb; R3 = Ph3, Ph2Py) and functionalized pyridine-based ligands have been studied with different techniques.

Coumarin Derivative Induced 3D Organo‐Silver(I) Complex with Tandem Hydrazine Detection and 4‐Nitrophenol Catalysis

“…While the fabrication of 2D or 3D organo-silver(I) complexes is very difficult by monodentate ligand. [24][25][26][27][28][29][30][31][32][33][34][35] Furthermore, the preparation of 2D or 3D silver(I) cluster-based silver(I)-organic frameworks remains a challenge due to the complexity and uncertainty of the self-assembly process. Significantly, the key to the formation of 3D organo-silver(I) complexes lies in the choice of the organic ligands, and it is evident that the ligands with multiple active coordination sites are conducive to the formation of 3D networks.…”

Halogen Bonding in Isostructural Co(II) Complexes with 2-Halopyridines

“…This situation allows a direct comparison of energies in different X•••X pairs by means of theoretical methods. However, while Cl/Br or Br/I isostructural pairs are common, the 'triple' series are very rare [12,13] especially in coordination chemistry [14,15].…”

Phosphorescent Complexes of {Mo6I8}4+ and {W6I8}4+ with Perfluorinated Aryl Thiolates featuring Unusual Molecular Structures

“…in these bond critical points, together with estimated strength for the appropriate short contacts (2.1-3.4 kcal/mol) are typical for noncovalent interactions involving iodine atoms in similar chemical systems. [22,23,24,25] The balance between the Lagrangian kinetic energy G(r) and potential energy density V(r) at these (3, À 1) bond critical points reveals these interactions as purely non-covalent if the ratio À G(r)/V(r) > 1 is satisfied, and having some covalent component if À G(r)/V(r) < 1 takes place; [26] judging from this criterion, covalent contribution in intramolecular noncovalent interactions C•••I in 1 is clearly absent (Table S3: À G(r)/V(r) = 1.33 for "short" contact (3.428 Å) and 1.20 for "long" contact (3.558 Å)). The Laplacian of electron density is decomposed into the sum of contributions along the three principal axes of maximal variation, giving the three eigenvalues of the Hessian matrix (λ 1 , λ 2 and λ 3 ), and the sign of λ 2 can be utilized to distinguish bonding (attractive, λ 2 < 0) weak interactions from non-bonding ones (repulsive, λ 2 > 0).…”