Synthesis, structure, photoluminescence and electrochemical properties of mononuclear Ag(I) and polymeric Zn(II) complexes of potassium 4-methyl piperazine-1-carbodithioate

Chaudhari, U.K.; Bharti, A.; Nath, Paras; Azad, Uday Pratap; Prakash, Rajiv; Butcher, Ray J.; Bharty, M.K.

doi:10.1016/j.molstruc.2018.09.055

Cited by 10 publications

(4 citation statements)

References 41 publications

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“…Additionally, an oxidation process is observed at a potential of 0.36 V, which is attributed to the Co II /Co III oxidation process (Figure 8). These electrochemical results provide insights into the redox behavior of the complexes 39,71–73 …”

Section: Resultsmentioning

confidence: 88%

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Parvarinezhad,

Ramezanipoor,

Kubicki

et al. 2024

Applied Organom Chemis

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A new series of transition metal complexes of bidentate Schiff base compound derived from 2‐hydroxy‐1‐(2‐methoxyethylimino)‐naphthalene (HL) were synthesized and characterized using elemental analysis, Fourier transform infrared spectroscopy (FT‐IR), and UV–vis spectroscopies. X‐ray single crystal structures of Zn(II), Mn(III), and Co(III) complexes (1–4) have also been determined, and it was indicated that these Zn(II) and Co(III) complexes (1, 4) are in an octahedral geometry. Whereas, it was found that the Zn complex (2) is in quite a regular tetrahedral environment. Also, the Mn center in complex (3) is ligated by two azomethine nitrogen atoms, two ligand oxygen atoms, and one Cl atom of metal salt forming five coordinated tetragonal pyramid geometry around the Mn atoms. The cyclic voltammetry of the complexes specifies an irreversible redox behavior for all complexes (1–4). Next, DFT/B3LYP theoretical method was used to determine the optimal geometrical configurations and comparison between experimental and theoretical data, as well as for calculations of molecular electrostatic potential, highest‐occupied molecular orbital (HOMO)‐lowest‐unoccupied molecular orbital (LUMO) energy values of selected compounds. The study of non‐covalent interactions was done by Hirshfeld surface analysis using CrystalExplorer program. Furthermore, molecular docking inspection was carried out to study the binding affinity of the tested complexes towards protein B‐cell lymphorna (PDB ID: 4LXD). Using the results obtained from the molecular docking and the summarized interaction of the binding processes, these structures show the validity of effective inhibition against liver cancer.

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Section: Resultsmentioning

confidence: 88%

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Parvarinezhad,

Ramezanipoor,

Kubicki

et al. 2024

Applied Organom Chemis

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“…42,47 The bite angles around the metal ion are S(4)-Zn(1)-S(3)#1 = 107.11(3) and S(1)-Zn(1)-S(2) = 75.68(3)°which are longer and shorter than the regular bond angles and suggest a distorted tetrahedral geometry around both zinc centers in complex 5. [48][49][50] The crystal structure of complex 5 is stabilized via intermolecular C-H⋯O interactions occurring between the C-H hydrogen of the cyclohexyl ring and the oxygen atoms of the methoxy group leading to a wave-like 2D supramolecular architecture Fig. S16.…”

Section: Dalton Transactions Papermentioning

confidence: 99%

Antiproliferative activity of Fe(ii), Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes of dithiocarbamate: synthesis, structural characterization, and thermal studies

Singh,

Shiv,

Singh

et al. 2024

Dalton Trans.

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“…7 shows that in the cyclic voltammogram for complex (4), a decreasing voltammogram in cathodic potential (Epc) -0.531 and − 1.34 V caused by Co Ш /Co II and Co II /Co I has been observed. In addition, the redox process observed at the potential of 0.36 V is related to Co II /Co III oxidation [15,[37][38][39].…”

Section: Electrochemical Studiesmentioning

confidence: 99%

Synthesis, spectra, crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking evaluation on novel mononuclearZn(II), Mn(III) and Co(III) Schiff base complexes derived from 2- hydroxy-1-naphthaldehyde

Parvarinezhad

Ramezanipoor

Kubicki

et al. 2023

Preprint

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four novel complexes of bidentate Schiff base ligand derived from 2-hydroxy-1-(2-methoxyethylimino)-naphthalen (HL) were synthesized and characterized using elemental analysis, FTIR, and UV–Vis spectroscopies. X-ray single crystal structures of Zn(II), Mn(III) and Co(III) complexes (1–4) have also been determined, and it was indicated that these Zn(II) and Co(III) complexes (1, 4) are in an octahedral geometry. Whereas, it was found that the Zn complex (2) in quite a regular tetrahedral environment. Also, Mn center in complex (3), is ligated by two azomethine nitrogen atom, two ligand oxygen atoms and one Cl atom of metal salt forming five coordinated tetragonal pyramid geometry around of the Mn atoms. The cyclic voltammetry (CV) of the complexes specifies an irreversible redox behavior for all complexes (1–4). Next, the molecular electrostatic potential (MEP) was studied for all complexes to better understand and predict the reaction sites of electrophilic and nucleophilic attacks. Also, density functional theory (DFT) calculations were performed to determine the optimal geometrical configurations, and comparison between experimental and theoretical data, and non-covalent interactions were determined by Hirshfeld surface analysis (HSA) using CrystalExplorer program. Also, finding binding affinity of complexes with protein (PDB ID: 4LXD) was also done using molecular docking.

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Synthesis, structure, photoluminescence and electrochemical properties of mononuclear Ag(I) and polymeric Zn(II) complexes of potassium 4-methyl piperazine-1-carbodithioate

Cited by 10 publications

References 41 publications

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Antiproliferative activity of Fe(ii), Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes of dithiocarbamate: synthesis, structural characterization, and thermal studies

Synthesis, spectra, crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking evaluation on novel mononuclearZn(II), Mn(III) and Co(III) Schiff base complexes derived from 2- hydroxy-1-naphthaldehyde

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