Schiff pentadentate ligands based on an [ON2O2] core displaying structural isomerism and their coordination to dibutyltin moieties

Two tin compounds [Sn(nBu)2(Ln)], where L1double bond; length as m-dash{O(C6H4-2-Ndouble bond; length as m-dashC(H)C6H4-2?-O)2}2 ? and L2double bond; length as m-dash{O(C6H4-2-C(H)double bond; length as m-dashNC6H4-2?-O)2}2 ? enclosing five electron donors in an [ON2O2] core, were synthesized and structurally characterized by infrared and NMR spectroscopy and by single crystal X-ray crystallographic studies at room temperature. The hepta-coordinate geometry around the Sn centers is achieved through the bonding of two monodentate n-butyl groups and the coordination of the pentadentate Ln ligands, where the [ON2O2] core is forming a pentagonal base. The two types of oxygen atoms displayed different bonding situations around the Sn atom. DFT calculations with Gaussian 09 using PBEPBE/6-31G**/SDD level were carried out for both compounds. The topological analysis indicated that bond critical points are present along the Snsingle bondOether direction.