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• 90-59-5 3,5-Dibromosalicylaldehyde 
• 109-76-2 Trimethylenediamine 

Relevant academic research and scientific papers

Synthesis, spectral characterization, crystal structure determination and antimicrobial activity of Ni(II), Cu(II) and Zn(II) complexes with the Schiff base ligand derived from 3,5-dibromosalicylaldehyde

Three new mononuclear metal complexes of the type ML, (M = Ni, Cu and Zn), with salen type tetradentate (ONNO) Schiff base, N,N′-bis(3,5-dibromosalicylidene)-1,3-diaminopropane (H2L), have been prepared and characterized using FT-IR, 1H NMR and elemental (CHN) analyses. In addition, the crystal structures of all complexes were analyzed by single crystal X-ray diffraction (SC-XRD) technique. The SC-XRD data explored that in the nickel and copper complexes a monoclinic crystal system was present and the coordination sphere around the metal centers consists of two oxygen atoms and two nitrogen atoms from chelating ligands to give a square planar geometry, while the zinc complex has orthorhombic crystal system and in addition to the atoms from chelating ligand, two O-atoms from the water molecules also coordinate to Zn atom to give distorted octahedral geometry. The in vitro antibacterial activities of the ligand and complexes were elaborated by screening them against Gram (+ve) (Staphylococcus aureus and Bacillus cereus) Gram (-ve) (Escherichia coli and Pseudomonas aeruginosa). All the synthesized compounds showed significant activity against the tested bacterial strains.

Crystal and electronic structure of poly-halogenated lanthanide Schiff base complex: Insights into halogen bond from structural and theoretical analysis

With the aim to explore the electronic structure and the influence of halogen bonds to the supramolecular networks of lanthanide Schiff base complexes, halogenated salen-type Schiff-base and cerium nitrate were chosen as starting materials and isolated a new salen-type cerium(IV) complex [CeIV(3,5Br-salpn)2] (1) where 3,5Br-salpn = N,N’-bis(3,5?bromo salicylidene)-1,3-diaminopropane. The complex was investigated in the solid state by single-crystal X-ray diffraction. Structural analysis reveal the substitutional halogen atoms play an important role in tuning the molecule structure and supramolecular networks. The electronic structure of halogen bonds was confirmed by theoretical calculation, which uncovered an interesting phenomenon that the σ-hole of bromine atoms of different substituents present quite different molecular electrostatic surface potential (5-Br: Vmax = 6.8 kcal/mol and 3-Br: Vmax = 13.2 kcal/mol). Hirshfeld surface analysis showed that bromine atoms involved intermolecular contacts donate 56.6percent contribution of all the interactions, indicating the significant role of bromine atoms in crystal structures. Additionally, fluorescence experiments proved that the halogenated ligand has an important influence on the fluorescence behavior of the complex.