scholarly journals Transition Metal Complexes with Tridentate Ligand: Preparation, Spectroscopic Characterization, Thermal Analysis and Structural Studies

2016 ◽  
Vol 13 (4) ◽  
pp. 770-781 ◽  
Author(s):  
Baghdad Science Journal
Keyword(s):  
Gas Phase ◽  
Transition Metal Complexes ◽  
Spectroscopic Characterization ◽  
Heat Of Formation ◽  
Electronic Energy ◽  
Molar Conductance ◽  
Tridentate Ligand ◽  
Structural Studies ◽  
1H And 13C Nmr ◽  
Ft Ir

New series of metal ions complexes have been prepared from the new ligand 1,5- Dimethyl-4- (5-oxohexan-2- ylideneamino) -2-phenyl- 1H-pyrazol-3 (2H)-one derived from 2,5-hexandione and 4-aminophenazone. Then, its V(IV), Ni(II), Cu(II), Pd(II), Re(V) and Pt(IV) complexes prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, TGA curve, magnetic moment, elemental microanalyses (C.H.N.O.), chloride containing, Atomic absorption and molar conductance. Hyper Chem-8 program has been used to predict structural geometries of compounds in gas phase, the heat of formation, (binding, total and electronic energy) and dipole moment at 298 K.

scholarly journals Computational and Spectral Discussion of Some Substituted Chalcone Derivatives

2021 ◽  
Vol 12 (6) ◽  
pp. 7159-7176
Keyword(s):  
Geometry Optimization ◽  
Spectroscopic Characterization ◽  
Diffusion Method ◽  
Geometrical Parameters ◽  
1H And 13C Nmr ◽  
Chalcone Derivatives ◽  
Ft Ir ◽  
Experimental Values ◽  
Antibacterial And Antifungal ◽  
Homo Lumo

The substituted chalcone derivatives 1–7 have been synthesized, and spectroscopic characterization were done as done using the experimental FT-IR, UV-Vis, GC-MS, 1D NMR spectroscopy. The favored conformation of substituted chalcone 3 was predicted theoretically by geometry optimization structure selected geometrical parameters and molecular properties such as NBO, AIM, HOMO-LUMO, MEP surface, and atomic charges were derived from optimized structures. The 1H and 13C NMR spectral data had been additionally computed using the Gaussian-09 package and compared with the experimental values. The antibacterial and antifungal activity was derived by the disc diffusion method.

scholarly journals Preparation, Spectroscopic Characterization and Theoretical Studies of Transition Metal Complexes with 1-[(2-(1H-indol-3-yl)ethylimino)methyl]naphthalene-2-ol Ligand

2019 ◽  
Vol 31 (11) ◽  
pp. 2430-2438 ◽  
Author(s):  
Vian Yamin Jirjees ◽  
Veyan Taher Suleman ◽  
Abbas Ali Salih Al-Hamdani ◽  
Suzan Duraid Ahmed
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Spectroscopic Characterization ◽  
Bidentate Ligand ◽  
Spectroscopic Techniques ◽  
Theoretical Studies ◽  
Ft Ir ◽  
Uv Visible ◽  
Methyl Naphthalene

A new Schiff base [1-((2-(1H-indol-3-yl)ethylimino)methyl)naphthalene-2-ol] (HL) has been synthesized by condensing (2-hydroxy-1-naphthaldehyde) with (2-(1H-indol-3-yl)ethylamine). In turn, its transition metal complexes were prepared having the general formula; [Pt(IV)Cl2(L)2], [Re(V)Cl2(L)2]Cl and [Pd(L)2], 2K[M(II)Cl2(L)2] where M(II) = Co, Ni, Cu] are reported. Ligand as well as metal complexes are characterized by spectroscopic techniques such as FT-IR, UV-visible, 13C & 1H NMR, mass, elemental analysis. The results suggested that the ligand behaves like a bidentate ligand for all the synthesized complexes. On the other hand, theoretical studies of the ligand as well its metal complexes were conducted at gas phase using HyperChem 8.0. These metal complexes exhibited good antibacterial activity.

scholarly journals Transition metal complexes with a new tridentate ligand, 5-[6-(5-mercapto- 1,3,4-oxadiazol-2-yl)pyridin-2-yl]-1,3,4-oxadiazole-2-thiol

2007 ◽  
Vol 72 (4) ◽  
pp. 357-366 ◽  
Author(s):  
Kalagouda Gudasi ◽  
Manjula Patil ◽  
Ramesh Vadavi ◽  
Rashmi Shenoy ◽  
Siddappa Patil
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Thermal Studies ◽  
Tridentate Ligand ◽  
Spectral Studies ◽  
1H And 13C Nmr ◽  
Pyridine Nitrogen ◽  
Elemental Analyses ◽  
Thiol Form

A new ligand 5-[6-(5-mercapto-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-1,3,4-oxadiazole- 2-thiol (L) and its Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) complexes were synthesized. The authenticity of the ligand and its transition metal complexes were established by elemental analyses, conductance and magnetic susceptibility measurements, as well as spectroscopic (IR, 1H- and 13C-NMR, electronic, mass, ESR) and thermal studies. The IR and 1H-NMR spectral studies revealed the existence of the ligand in the thiol form in the solid state, whereas in the thione form in the dissolved state. The magnetic and electronic spectral studies suggest an octahedral geometry for all the complexes. The ligand acts as a tridentate ligand coordinating through the pyridine nitrogen and the nitrogen atoms (N-3' and N-3'') of the two oxadiazole rings. Antimicrobial screening of the ligand and its metal complexes were determined against the bacteria Escherichia coli and Bacillus cirroflagellosus, as well as against the fungi, Aspergillus niger and Candida albicans. .

scholarly journals Preparation , Characterization, and Theoretical Treatment Complexes Of Some Transition Metals with N5 Acyclic Derived From 2,6-diacetyl pyridine

2006 ◽  
Vol 2 (2) ◽  
pp. 98-105
Author(s):  
Omar Al-Obaidi
Keyword(s):  
Gas Phase ◽  
Transition Metal Complexes ◽  
Magnetic Moments ◽  
Molar Conductance ◽  
Molar Ratio ◽  
Theoretical Treatment ◽  
Dmso Solution ◽  
Uv Visible ◽  
Semi Empirical ◽  
Formation Of Complexes

   A series  of  transition  metal  complexes with [2,6-diacetimino-pheylenediamine –[2,2,diyl] pyridine ]of the general  formula [MLCl]Cl , M= Co(II), Ni(II) and Cu(II) , respectively  have been  synthesized  and  fully characterized  on the bases  of C.H.N.M  elemental analysis, 1HNMR , UV- Visible and FTIR spectra , in addition the structure of complexes was characterized by  magnetic moments and molar conductance in DMSO solution ,and molar ratio of metal  were also determined. From the above of these studies and measurements suggest an octahedral geometry around Co(II) , Ni(II) and Cu(II) .A theoretical treatment of the formation of complexes in the gas phase was studied, this was done using the HYPERCHEM-6 program for the Molecular mechanics and Semi-empirical calculations. 

scholarly journals Synthesis and Theoretical Study of 4-(2-methyl-4-oxoquinazoline-3(4H)-yl) Benzoic acid with Some Transition Metal Ions

2013 ◽  
Vol 10 (3) ◽  
pp. 537-546
Author(s):  
Baghdad Science Journal
Keyword(s):  
Benzoic Acid ◽  
Metal Ions ◽  
Transition Metal Ions ◽  
Heat Of Formation ◽  
Molar Conductance ◽  
Element Analysis ◽  
Mononuclear Complexes ◽  
Ft Ir ◽  
Experimental Values ◽  
Semi Empirical

New complexes of the type [ML2(H2O)2] ,[FeL2(H2O)Cl] and [VOL2] were M=Co(II),Ni(II) and Cu(II) ,L=4-(2-methyl-4-oxoquinazoline-3(4H)-yl) benzoic acid were synthesized and characterized by element analysis, magnetic susceptibility ,molar conductance ,FT-IR and UV-visible. The studies indicate that the L acts as doubly monodentate bridge for metal ions and form mononuclear complexes. The complexes are found to be octahedral except V(IV) complex is square pyrimde shape . The structural geometries of compounds were also suggested in gas phase by theoretical treatments, using Hyper chem-6 program for the molecular mechanics and semi-empirical calculations, addition heat of formation(?Hf ?) and binding energy (?Eb)for the free ligands and it’s metal complexes were calculated by using PM3 method .PM3 was used to evaluate the vibration spectra of ligand and compare the theoretically calculated wave numbers with experimental values ,the theoretically obtained frequencies agreed calculation helped to assign unambiguously the most diagnostic bands.

scholarly journals Preparation, characterization and antibacterial effect of 2-methoxy-6-(5-H/Me/Cl/No2-1H-benzimidazol-2-yl)phenols and some transition metal complexes

2009 ◽  
Vol 74 (5) ◽  
pp. 537-548 ◽  
Author(s):  
Aydin Tavman ◽  
Serkan Ikiz ◽  
Funda Bagcigil ◽  
Yakut Özgür ◽  
A.K. Seyyal
Keyword(s):  
Antibacterial Activity ◽  
Transition Metal Complexes ◽  
Inhibitory Concentration ◽  
Antibacterial Effect ◽  
Diffusion Method ◽  
Dilution Method ◽  
Disk Diffusion Method ◽  
1H And 13C Nmr ◽  
Gram Positive Bacteria ◽  
Ft Ir

2-Methoxy-6-(5-H/methyl/chloro/nitro-1H-benzimidazol-2-yl)phenols (HLx; x = 1-4, respectively) ligands and HL1 complexes with Fe(NO3)3, Cu(NO3)2, AgNO3 and Zn(NO3)2 were synthesized and characterized. The structures of the compounds were confirmed based on elemental analysis, molar conductivity, magnetic moment, FT-IR, 1H- and 13C-NMR. The antibacterial activity and minimum inhibitory concentration (MIC) of the free ligands, their hydrochloride salts and the complexes were evaluated using the disk diffusion method in dimethyl sulfoxide (DMSO) and the dilution method, respectively, against 9 bacteria. HL1 and HL3, as well as the Cu(II) and Zn(II) complexes, showed antibacterial activity against Gram-positive bacteria.

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