Organometallic assemblies: π-electron delocalization, μ-bridging spacers, flexibility, lipophilic nature, bio-accessibility, bioavailability, intracellular trafficking pathways and antimicrobial assimilation

Supramolecular architectures of triphenylSn(IV)-A(lII)-mu-oxoisopropoxide (organometallic assemblies i.e. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2)) were yielded by the reaction of triphenyltin acetate, aluminiumisopropoxide and different ligands (L-1 to L-5) having different backbones (NOONO and OONO) in presence of xylene. Spectral analysis (IR, H-1 NMR, C-13 NMR, Al-27 NMR, Sn-119 NMR and MS) and molecular modeling revealed coordination modes between metals and donor atoms entirely within supramolecular architectures. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2) showed tetra- and penta-coordination of metals center with distorted tetrahedral and distorted trigonal-bipyramidal geometries for Sn(IV) and Al(III) respectively. Organometallic assemblies went through self-organization of atoms through m-bridging, hydrophobic, hydrophilic and electrostatic effects. Antimicrobial assimilation was dependent on good adsorptive ability, generated by the interaction between microbial and organometallic assemblies. Finally, organometallic assemblies were screened extensively in-vitro against a number of pathogens. The toxicity of metal ion(s) was reduced or eliminated by changing donor backbone of ligands. Computational models and molecular mechanics were employed to reveal architectural features. The donating nature of substituent of ligands affected antimicrobial assimilation. Because of this, desired modifications were done through computational calculations to achieve perfect organometallic assemblies with HOMO for ligands(L-1 to L-5). (C) 2014 Elsevier B.V. All rights reserved.