Tridentate Schiff base coordinated trigonal bipyramidal / square pyramidal copper(II) complexes: Synthesis, crystal structure, DFT / TD-DFT calculation, catecholase activity and DNA binding

Bhunia, Apurba; Vojtı́šek, Pavel; Bertolasi, Valerio; Manna, Subal Chandra

doi:10.1016/j.molstruc.2019.03.098

Cited by 22 publications

(6 citation statements)

References 56 publications

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“…The spectra were deconvolved in the visible region and the position of the maxima along with the calculated values and the proposed assignment of the bands are listed in Table 3. Assignments were established from reported data of related complexes [5,8,[45][46][47] and with the help of TD-DFT calculations. Molecular orbitals involved in the transitions are depicted in Figure S3.…”

Section: Electronic Spectroscopymentioning

confidence: 99%

Synthesis, Crystal Structure, Spectroscopic Characterization, DFT Calculations and Cytotoxicity Assays of a New Cu(II) Complex with an Acylhydrazone Ligand Derived from Thiophene

et al. 2021

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A new Cu(II) complex is synthetized by the reaction of copper nitrate and a N-acylhydrazone ligand obtained from the condensation of o-vanillin and 2-thiophecarbohydrazide (H2L). The solid-state structure of [Cu(HL)(H2O)](NO3)·H2O, or CuHL for simplicity, was determined by X-ray diffraction. In the cationic complex, the copper center is in a nearly squared planar environment with the nitrate interacting as a counterion. CuHL was characterized by spectroscopic techniques, including solid-state FTIR, Raman, electron paramagnetic resonance (EPR) and diffuse reflectance and solution UV-Vis electronic spectroscopy. Calculations based on the density functional theory (DFT) assisted the interpretation and assignment of the spectroscopic data. The complex does not show relevant antioxidant activity evaluated by the radical cation of 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS) method, being even less active than the free ligand as a radical quencher. Cytotoxicity assays of CuHL against three human tumor cell lines, namely MG-63, A549 and HT-29, revealed an important enhancement of the effectiveness as compared with both the ligand and the free metal ion. Moreover, its cytotoxic effect was remarkably stronger than that of the reference metallodrug cisplatin in all cancer cell lines tested, a promissory result in the search for new metallodrugs of essential transition metals.

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Section: Electronic Spectroscopymentioning

confidence: 99%

Synthesis, Crystal Structure, Spectroscopic Characterization, DFT Calculations and Cytotoxicity Assays of a New Cu(II) Complex with an Acylhydrazone Ligand Derived from Thiophene

et al. 2021

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“…Schiff base metal complexes are an attractive research field due to their industrial and biological applications or potential use in material science [ 1 , 2 , 3 ]. They have attracted the attention of coordination chemists and inspired them to design and synthesize mono or polynuclear complexes of transition metals [ 4 ].…”

Section: Introductionmentioning

confidence: 99%

“…Supplementary Materials: Supplementary materials can be found at http://www.mdpi.com/1422-0067/21/13/ 4587/s1. Figure S1: 1 H NMR spectrum of ligand HL2 (700 MHZ, CDCl 3 )., Figure S2: 13 C NMR spectrum of ligand HL2 (700 MHZ, CDCl 3 ), Figure S3: 1 H NMR spectrum of ligand HL1 (400 MHZ, DMSO-d6 ), Figure S4: 13 C NMR spectrum of ligand HL1 (400 MHZ, DMSO-d6 ), Figure S5 S1: Theoretical chemical shift for 1 H and 13 C NMR for ligand HL1 and ligand HL2…”

mentioning

confidence: 99%

Dinuclear Copper(II) Complexes with Schiff Bases Derived from 2-Hydroxy-5-Methylisophthalaldehyde and Histamine or 2-(2-Aminoethyl)pyridine and Their Application as Magnetic and Fluorescent Materials in Thin Film Deposition

Barwiołek

Kaczmarek‐Kędziera

Muzioł

et al. 2020

IJMS

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Two Cu(II) complexes, 1 and 2, with tridentate Schiff bases derived from 2-hydroxy-5-methylisophthalaldehyde and histamine HL1 or 2-(2-aminoethyl)pyridine HL2, respectively, were obtained and characterized by X-ray crystallography, spectroscopic (UV-vis, fluorescence, IR, and EPR), magnetic, and thermal methods. Despite the fact that the chelate formed by the NNO ligand donors (C26-C25H2-C24H2-N23=C23H-C22-C19Ph(O1)-C2(Ph)-C3H=N3-C4H2-C5H2-C6 fragment) are identical, as well as the synthesis of Cu(II) complexes (Cu:L = 2:1 molar ratio) was performed in the same manner, the structures of the complexes differ significantly. The complex 1, {[Cu2(L1)Cl2]2[CuCl4]}·2MeCN·2H2O, consists of [Cu2(L1)Cl2]+ units in which Cu(II) ions are bridged by the HL1 ligand oxygen and each of these Cu(II) ions is connected with Cu(II) ions of the next dimeric unit via two bridging Cl− ions to form a chain structure. In the dinuclear [Cu2(L2)Cl3]⋅0.5MeCN complex 2, each Cu(II) is asymmetrically bridged by the ligand oxygen and chloride anions, whereas the remaining chloride anions are apically bound to Cu(II) cations. In contrast to the complex 1, the square-pyramidal geometry of the both Cu(II) centers is strongly distorted. The magnetic study revealed that antiferromagnetic interactions in the complex 2 are much stronger than in the complex 1, which was corresponded with magneto-structural examination. Thin layers of the studied Cu(II) complexes were deposited on Si(111) by the spin coating method and studied by scanning electron microscopy (SEM/EDS), atomic force microscopy (AFM), and fluorescence spectroscopy. The Cu(II) complexes and their thin layers exhibited fluorescence between 489–509 nm and 460–464 nm for the compounds and the layers, respectively. Additionally, DFT calculations were performed to explain the structures and electronic spectral properties of the ligands.

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“…Schiff base transition-metal complexes are now studied comprehensively regarding these prospective industrial and biological applications. All these applications are possible because of their various structural, , spectral, electrochemical, − and biological properties. − Coordination chemists are being attracted and motivated nowadays to design and synthesize mono- or polynuclear transition-metal complexes − with N,O- donor Schiff bases. These N,O- Schiff bases are remarkable for their outstanding ability to accept unusual configurations, structural lability, and sensitivity to the environment. , …”

Section: Introductionmentioning

confidence: 99%

Exploring the Noncovalent Interactions of the Dinuclear Cu(II) Schiff Base Complex with Bovine Serum Albumin and Cell Viability against the SiHa Cancer Cell Line

Maity¹,

Sepay²,

Pramanik

et al. 2021

J. Phys. Chem. B

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In the present study, a dinuclear bis(μ-acetate) dicopper(II) complex [Cu2L2(μ1.1-CH3COO–)2] has been synthesized from a tridentate NNO Schiff Base ligand L (L = 2,4-dibromo-6-((3-(methylamino)propylimino)methyl)phenol) and characterized by elemental, ultraviolet–visible (UV–vis), Fourier transform infrared (FTIR), 1H NMR, and electrospray ionization-mass spectrometry (ESI-MS) spectroscopic studies. The single-crystal X-ray structure, different noncovalent interactions, Hirshfeld surface analysis, and density functional theory (DFT) studies of the dinuclear complex were determined by crystallographic computational studies. The structural study exposed that the complex consists of the penta-coordinated double μ1.1-acetato-bridged dinuclear units of Cu(II), and it is a centrosymmetric dimer in which the center of inversion lies at the midpoint of two Cu(II) ions. Hirshfeld surface and DFT studies pointed out the probable potentiality of the crystal in prospective binding with the protein. This was experimentally verified by carrying out the binding interaction studies against bovine serum albumin (BSA) protein using various spectroscopic methods. It was observed that the copper(II) complex could strongly bind to BSA and could quench the intrinsic fluorescence of BSA. Further, the studied complex was appraised for cell viability studies against SiHa cancer cells. It is observed that cell viability increases with time, demonstrating the biocompatible nature of the complex.

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Tridentate Schiff base coordinated trigonal bipyramidal / square pyramidal copper(II) complexes: Synthesis, crystal structure, DFT / TD-DFT calculation, catecholase activity and DNA binding

Cited by 22 publications

References 56 publications

Synthesis, Crystal Structure, Spectroscopic Characterization, DFT Calculations and Cytotoxicity Assays of a New Cu(II) Complex with an Acylhydrazone Ligand Derived from Thiophene

Synthesis, Crystal Structure, Spectroscopic Characterization, DFT Calculations and Cytotoxicity Assays of a New Cu(II) Complex with an Acylhydrazone Ligand Derived from Thiophene

Dinuclear Copper(II) Complexes with Schiff Bases Derived from 2-Hydroxy-5-Methylisophthalaldehyde and Histamine or 2-(2-Aminoethyl)pyridine and Their Application as Magnetic and Fluorescent Materials in Thin Film Deposition

Exploring the Noncovalent Interactions of the Dinuclear Cu(II) Schiff Base Complex with Bovine Serum Albumin and Cell Viability against the SiHa Cancer Cell Line

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