Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand

Abstract

The role of non-covalent interactions in the self-assembly of Schiff-base complexes of ZnII, CuII and NiII has been investigated experimentally and theoretically with especial attention to unconventional C–H⋯π interactions involving pseudohalide coligands.

Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study

“…To evaluate the interactions in the solid state, we have used the crystallographic coordinates. This procedure and level of theory have been successfully used to evaluate similar interactions [65][66][67][68]. The interaction energies were computed by calculating the difference between the energies of isolated monomers and their assembly.…”

“…On the other hand, the importance of the anion•••π interactions has been explored in gas phase, in solution, and in the solid state, and has also been analyzed by means of theoretical and experimental investigations [32][33][34][35][36][37][38][39][40][41]. Many researchers are synthesizing several supra-molecular architectures and analyzing the energy of these associations to understand the nature of cooperative non-covalent interactions in them [42][43][44][45][46][47][48][49][50][51].…”

New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies

“…This method has previously been successfully used to evaluate similar interactions. [52][53][54][55] The interaction energies were computed by calculating the difference between the energies of isolated monomers and their assembly. The interaction energies were corrected for the basis set superposition error (BSSE) using the counterpoise method.…”

2-Acetylpyrydine-aminoguanidine Schiff base – Novel ligand salt and zinc(II) complex containing thiocyanate

“…The Zn-N coordination bonds are comparable to those in previously reported Zn complexes comprising a similar tridentate (NNN) Schiff base and NCS anion as ligands. [20][21][22][23][24][25][26] In [ZnL(NCS) 2 ], the Zn-N bond involving the pyridine N atom is the longest and that involving the imino N is the shortest bond with the chelate ligand (Table I). A similar trend was observed in two previously reported Cu(II) complexes comprising the same tridentate ligand.…”