Syntheses, characterization and X-ray crystal structures of a mono- and a penta-nuclear nickel(II) complex with oximato Schiff base ligands

Maity, Debdulal; Chattopadhyay, Shouvik; Ghosh, Ashutosh; Drew, Michael G. B.; Mukhopadhyay, Gurucharan

doi:10.1016/j.ica.2010.07.029

Cited by 29 publications

(17 citation statements)

References 23 publications

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“…Schiff bases [1][2][3][4][5][6][7] and their metal complexes represent one of the most areas of material science, catalysis and chemical research [8][9][10][11][12][13][14][15][16][17][18][19][20][21] . The efficiency of these compounds often enhanced upon coordination to a metal has been proven for the drug action acceleration of therapeutic agents [22][23][24][25][26] and for multi-compounds reaction where these complexes are used as intermediates.…”

Section: Introductionmentioning

confidence: 99%

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

Imanelakehal¹,

Farhihalamia²,

Saoussenlakehal³

et al. 2016

Orient. J. Chem

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Complex of cerium (III) with (E)-N-benzylidene-4-methoxyaniline is synthesized through a one-pot three-component reaction from aromatic aldehyde, aromatic amine and the CeCl 3 · 7 H 2 O, as an efficient catalyst. This cerium (III) complex is characterized by IR, 1H, and 13C NMRspectroscopy and mass-spectral data. Molecular structure, Mullikan charges, thermodynamic parameters; vibrational frequencies and intensities were calculated by Density Functional theory methods (B3LYP, B3PW91, mPW1PW91 and PBEPBE) using the SDD basis set. The comparison between the calculated and experimental data in order to attain the best quality and to predict the structure, the best performance in the vibration spectra perfected of the title compound, we have found that the harmonic vibration computed are in a good agreement with the observed in IR spectrum, for closest match we calculated optimal scaling factors can recommend for the IR spectral future predictions for unknown compounds of this class. In order to better comparison, we also root mean square values of the experimental and calculated IR bands are 16.64, 16.64, 17.45, 17.66 and the mean absolute percentage error values are 1.33, 1.39, 1.40, and 1.5 for B3LYP, B3PW91, mPW1PW91, and PBEPBE methods respectively.

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Section: Introductionmentioning

confidence: 99%

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

Imanelakehal¹,

Farhihalamia²,

Saoussenlakehal³

et al. 2016

Orient. J. Chem

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“…Oximes represent a very significant group of ligands in coordination chemistry [1][2][3][4][5]. The oximes ligands can be used to synthesize symmetrical or unsymmetrical Schiff bases [5][6][7][8] that may then be made to undergo complexation with several metal ions.…”

Section: Introductionmentioning

confidence: 99%

“…The oximes ligands can be used to synthesize symmetrical or unsymmetrical Schiff bases [5][6][7][8] that may then be made to undergo complexation with several metal ions. Organometallic and coordination chemistries of oximes constitute an active research area with efforts in particular being directed toward unusual reactivity modes of oximes and their complexes [2,3,9,10].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and structural study on (1E,2E,1′E,2′E)-3,3′-bis[(4-bromophenyl)-3,3′-(4-methy-1,2-phenylene diimine)] acetaldehyde dioxime: A combined experimental and theoretical study

et al. 2015

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Tetradentate (1E,2E,1'E,2'E)-3,3'-bis[(4-bromophenyl)-3,3'-(4-methy-1,2-phenylene diimine)] acetaldehyde dioxime which possess N 4 donor sets derived from the condensation of isonitroso-p-bromoacetophenone and 3,4-diaminotoluene are synthesized and characterized. The characterization of tetradentate Schiff base ligand has been deduced from LC-MS, FTIR, 13 C and 1 H NMR spectra and elemental analysis. Furthermore, the molecular geometry, infrared and NMR spectra of the title molecule in the ground state have been calculated by using the quantum chemical computational methods such as density functional theory (DFT) and ab initio Hartree-Fock (HF) methods with the 6-31G(d) and 6-311G(d) basis sets. The computed bond lengths and bond angles by using the both methods show the good agreement with each other. Moreover, the vibrational frequencies have been calculated and the scaled values have been compared with the experimental FTIR spectroscopic data. Assignments of the vibrational modes are made on the basis of potential energy distribution (PED) calculated from by using VEDA program. The correlations between the observed and calculated frequencies are in good agreement with each other as well as the correlation of the NMR data.

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“…The chelates were dissolved in DMF, and molar conductance of 10 [17,18] indicating that condensation between ketone moiety of isatin and that of amino group of amino acid has taken place resulting into the formation of the desired ligands (L 1 H)-(L 4 H). Moreover, on comparison of the IR spectra of the ligands with their Bu 2 Sn(IV) and Pb(II) complexes showed a major shift to lower wave numbers by 10-15 cm −1 in azomethine ν(C=N) at 1610 ± 5 cm −1 suggesting the involvement of the azomethine nitrogen with the Sn(IV) and Pb(II) ion [19][20][21]. The spectra of the ligands show a broad absorption band observed in the region 3100-2560 cm which is assigned to hydrogen bond ν(OH) [14].…”

Section: Resultsmentioning

confidence: 99%

Synthesis and Characterization of New Lead(II) and Organotin(IV) Complexes of Schiff Bases Derived from Histidine and Methionine

Singh

2012

International Journal of Inorganic Chemistry

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New Schiff base (HL) ligand is prepared via condensation of isatins and amino acids in 1:1 molar ratio. Metal complexes are prepared and characterized by elemental analysis, molar conductance, electronic, infrared, and multinuclear magnetic resonance ( 1 H NMR, 13 C NMR, and 119 Sn NMR). The analytical data showed that the ligand acts as bidentate toward metal ions via azomethine nitrogen and carboxylate oxygen by a stoichiometric reaction of metal : ligand (1 : 2) to from metal complexes (Pb(II)(L) 2 and Bu 2 Sn(L) 2 , where L is the Schiff base ligands of histidine and methionine). The conductivity values between 15 and 25 Ω −1 cm 2 mol −1 in DMF imply the presence of nonelectrolyte species. On the basis of the above spectral studies, distorted octahedral and tetrahedral geometry have been proposed for the resulting organotin(IV) and lead(II) complexes.

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Syntheses, characterization and X-ray crystal structures of a mono- and a penta-nuclear nickel(II) complex with oximato Schiff base ligands

Cited by 29 publications

References 23 publications

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

New Cerium (III) Complex of Schiff Base (E)-N-Benzylidene-4-Methoxyaniline: Synthesis and Density Functional Theoretical Study of Vibrational Spectra

Synthesis and structural study on (1E,2E,1′E,2′E)-3,3′-bis[(4-bromophenyl)-3,3′-(4-methy-1,2-phenylene diimine)] acetaldehyde dioxime: A combined experimental and theoretical study

Synthesis and Characterization of New Lead(II) and Organotin(IV) Complexes of Schiff Bases Derived from Histidine and Methionine

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