122630-46-0

Upstream product

• 90-02-8 salicylaldehyde 
• 88-74-4 2-nitro-aniline 

Relevant academic research and scientific papers

Substituent effects on the absorption and vibrational spectra of some 2-hydroxy Schiff bases: DFT/TDDFT, natural bond orbital and experimental study

The electronic structure of salicylideneaniline (SA) and some of its derivatives are investigated both experimentally and theoretically. The equilibrium geometric structures of the studied compounds are determined at the B3LYP/6-311++Glevel of theory. A set of 12 substituted SA derivatives is considered in the present work. The choice of these substituents aims to create a push-pull system on the SA basic structure which would shade light onto its photo physics. The electronic absorption spectra of SA are recorded in the UV-VIS region, in both polar and nonpolar solvents. Assignments of the observed electronic transitions are facilitated via time-dependent density functional theory (TDDFT) computations at the same level of theory. Electronic configurations contributing to each excited state are identified and the relevant MOs are characterized. The extent of delocalization and intramolecular charge transfer are estimated and discussed in terms of natural bond orbitals (NBO) analysis and second order perturbation interactions between donor and acceptor MOs. Solvent effects on the electronic absorption spectra are discussed in terms of the difference in polarizabilities of the ground and excited states. FTIR spectra of SA and its derivatives are measured in KBr platelets. Detailed vibrational assignments are given based on the calculated potential energy distributions. "IR marker bands" that characterize the SA framework are identified. The effect of substituents, the nature of the characteristic "marker bands", and intensity quenching of some bands are discussed.

Highly selective probes of copper(II) complexes for sulfide detection and cytotoxicity assay

Two probes based on novel Copper(II) complexes were developed in order to obtain H2S molecular probes with higher selectivity. The molecular structures of the complexes were characterized by 1H NMR, HRMS, IR and elemental analysis. The interaction of the compounds with biologically important anions and amino acids was determined by UV-vis and Fluorescence titration experiments. Results indicated that the compounds showed the highest binding ability for HS? among studied anions (AcO?, H2PO4 ?, F?, Cl?, Br? and I?) and amino acids (GSH, HCys and Cys) accompanied by blue shift phenomenon in pure DMSO and aqueous solution. The possible mechanism of host–guest interaction may be that the Copper(II) ion of complex was captured by HS? and free ligand released which showed a remarkable changes in UV-vis absorption. In addition, cytotoxicity of the synthesized compounds was studied on MCF-7 cells. Results indicated that the synthesized compounds had low cytotoxicity over a concentration range of 0–150 μg?mL?1, which exhibited that the synthesized probes could be used to detect H2S in vivo. The probes based on novel copper(II) complexes were synthesized and obtained by the reaction of substituent salicylaldehyde with amine derivatives, and then reacted with Cu(CH3COO)2·H2O, respectively. Investigation on the interference from other species suggested that copper(II) complexes have high selectivity for HS? over other anions (AcO?, (Formula presented.), F?, Cl?, Br? and I?), followed by the release of the copper ion to give a remarkable increase in UV–VIS absorption in pure DMSO solution and aqueous solution.

Synthesis and physicochemical characterization of some Schiff base complexes of chromium(III)

Some chromium(III) complexes of the type, [Cr(L)2(H 2O)2]Cl (1-10) [where L = Schiff bases (sbH, derived from the condensation of 2-amino pyridine, 2-aminophenol, o-toluidine, p-toluidine, 3-nitroaniline and anthranilic acid with salicylaldehyde/vanillin) and substituted benzimidazole/ benzoxazole or mercaptobenzimidazole] have been prepared by the reaction of chromium(III) chloride with corresponding ligands followed by immediate addition of ethanolic solution of anhydrous sodium acetate in 1:2 molar ratio. The resulting products have been characterized by elemental analysis, spectral (IR, UV-visible and FAB-mass) as well as magnetic susceptibility measurements. Octahedral structure is proposed for the complexes.