Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal

Crystal structure and Hirshfeld surface analysis of 2,2′-[(3,5-di-tert-butyl-4-hydroxyphenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

“…The xanthene moiety is also found in various natural compounds and has a wide spectrum of therapeutic and pharmacological properties. Aside from medicinal applications, xanthene dyes have been used for diagnostic and imaging applications (Khan & Sekar, 2022;Majumdar et al, 2022;Lakhrissi et al, 2022).…”

The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering

“…The trendy Salen ligands used herein comprise two imines, two phenols, two alkoxys, and one weakly acidic aliphatic -OH group. Aer deprotonation, the Salen-type ligand forms an N 2 O 2 imine chelating position, [11][12][13][14][15][16] successfully capturing several transition/post-metal ions (Scheme S2 †). The complexation leads to polymerization in the presence of a versatile spacer.…”

“…Such ligand activities are explored in the literature vividly. [11][12][13][14][15][16] Concerning the novelty of this work, our dedicated research team envisaged that tetrel bonding interactions with carbon result from methoxy groups, which is rare in the literature. The tetrel bonding was studied based on MEP, NCI plot, RDG surface, and NBO analyses.…”

“…Consequently, SCN − ligand-derived CPs with intriguing architectural frameworks have recently attracted much attention in coordination chemistry (Scheme S1A and B †). [11][12][13][14][15][16][17][18][19][20][21][22] The attraction is due to the diverse bonding functionalities in their X-ray crystal structures. In this way, the fruitful synthesis of CPs using compartmentalized N 2 O 4 scaffolds stands out due to its convenient synthesis, product stability, and versatility.…”

“…The literature reveals that preferential tetrel bonding formation is restricted to the Hemi-/ Holo-directed feature of Pb(II)-Salen complexes (Scheme S3 †). 12,13,15,16,[18][19][20][21][22] Non-covalent interactions are conventionally discussed in terms of interatomic distances and angles. 30,31 However, due to the pronounced and specic electrostatic element of such non-covalent bonds, 32,33 a rapid examination of the electronic features of halogen, chalcogen, pnictogen, and tetrel bonds is required.…”