Supramolecular association in Cu(II) coordination complexes involving energetically significant NO⋯NO π–hole interaction and cooperative π-stacked ternary assembly: Experimental and theoretical studies

Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies

“…47 The vibrations of water for both the compounds and the nitrate in the lattice of 1 are observed in the expected positions. 48,49 3.3 Electronic spectra of 1 and 2…”

“…65 The antimicrobial activity for the complexes 1 and 2 are similar to already reported complexes of Cu(II) involving phenanthroline. 48,58,66 No signicant activity was found on screening compounds 1-2 and phenanthroline against the fungi Rhizoctonia solani (MTCC4633) under the assay conditions.…”

Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands

“…A careful inspection of the structure shows that the interaction of perchlorate anion with the ligand is ditopic. That is, one O-atom is over the coordinated pyridine ring of the nicotine moiety and another one with shortest distance (3.08 Å, see Figure 10) is located over the C atom of the hydrazido group (π-hole interaction) [58,59]. This C atom is a good π-hole donor [60] due to the adjacent Pb-O coordination bond that enhances the π-acidity of C. We have computed the interaction energy of the model shown in Figure 10a, which is very large (∆E 1 = −173.9 kcal/mol) because of the significant electrostatic attraction between the dicationic [Pb 2 (L 1 ) 4 (NO 3 ) 2 ] 2+ moiety and the anions.…”

Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies

“…24 Moreover, less recognized non-covalent interactions, such as σ/π-hole, lone-pair/π and anion/π interactions, have also significantly contributed to the stabilities of metal–organic compounds. 25 Recent studies also revealed that the nitrile–nitrile interactions in coordination compounds involving organic ligands are also equally important to explore the stability and properties. 26…”