Çetın, Ahmet; Adiguzel, Ragip; Aktan, Ebru; Evren, Enes

In this work were specified catalytic activity of pyridine-substituted-bis-1,2,4-triazole (PBTT) derivative ligands 5,5′-(pyridine-2,5-diyl)bis(4-ethyl-4H-1,2,4-triazole-3-thiol) (L1) and 5,5′-(pyridine-2,5-diyl)bis(4-phenyl-4H-1,2,4-triazole-3-thiol) (L2) in biaryl synthesis in situ-reaction condition. Catalytic activities are determined in terms of conversion percentages to derivatives of biaryl of aryl bromides by GC-MS. The highest catalytic effect for L1 ligand was measured as 61% with 4-bromobenzaldehyde. Apart from catalytic activity studies, some structural properties of related ligands were discussed by computational methods. As a result, the ground state geometries, frontier molecular orbitals (FMOs) and also the maps of molecular electrostatic potential (MEP) of L1 and L2 ligands were obtained using DFT/B3LYP/6-31+G(d) calculations. Additionally, the global reactivity descriptors were reached using the FMOs calculations.

AtıfOpenAlex4·TR Dizin2

İncele

Adiguzel, Ragip; Esener, Hasan; Ergin, Zuhal; Aktan, Ebru; Turan, Nevin; Sekerci, Memet

In this study, the diazotized p-nitroaniline and p-methylaniline were coupled with malononitrile. The ring closure reaction of the obtained products with hydrazine monohydrate yielded 4-(4-methylphenylazo)-1H-pyrazole-3,5-diamine (L-1) and 4-(4-nitrophenylazo)-1H-pyrazole-3,5-diamine (L-2). The structure of the ligands has been elucidated by spectroscopic analyses. Then, novel Ni(II) and Cd(II) complexes of the ligands have been synthesized and the structures of these complexes determined by elemental analysis, spectrometric and TGA/DTA methods, molar conductance and magnetic susceptibility measurements. All the complexes were monomeric and diamagnetic. From the elemental analyses and mass spectra data, the complexes were proposed to the formulae [Ni-2(L-1)(2)(OH)(2)]center dot 2Cl center dot 8.5H(2)O, [Cd-2(L-1)(2)(OH)(2)]center dot 2Cl center dot DMF center dot 3H(2)O, [Ni(L-2)(2)]center dot 2Cl center dot 2DMF center dot 7H(2)O and [Cd-2(L-2)(2)(OH)(2)(H2O)(4)]center dot 2Cl center dot 1.5H(2)O. For the Cd(L-2) complex octahedral geometry was proposed, but the Ni(L-1), Ni(L-2) and Cd(L-1) complexes show four coordinated structure. The Ni(L-1), Cd(L-1) and Cd(L-2) complexes were found to be dinuclear. On the other hand the Ni(L-2) complex was found to be mononuclear. All the complexes were found to be (1:2) electrolytes.

AtıfWoS8

İncele

Esener, Hasan; Adiguzel, Ragip; Ergin, Zuhal; Aktan, Ebru; Turan, Nevin; Sekerci, Memet

In this study, the diazotized o-nitroaniline was coupled with malononitrile. The ring closure reaction of the obtained product with hydrazine monohydrate yielded 4-(2-nitrophenylazo)-1H-pyrazole-3,5-diamine (L). The structure of L has been elucidated by spectroscopic analyses. Then, novel Mn(II), Co(II), Ni(II) and Cd(II) complexes of L have been synthesized, and the structures of these complexes determined by elemental analysis, spectrometric and TGA/DTA methods, molar conductance and magnetic susceptibility measurements. All complexes were monomeric. Except Mn(II) complex, other complexes were diamagnetic. From the elemental analyses and mass spectra data, the complexes were proposed to the formulas [MnL2(CH3O)H2O]center dot Cl center dot CH3OH, [CoL2(CH3O)(2)]center dot Cl center dot 2.5CH(3)OH, [NiL2(CH3OH)(2)]center dot 6.5CH(3)OH and [Cd2L2(Cl)(2)(CH3O)(2)]center dot CH3OH center dot 1.5H(2)O. For Mn(II) and Co(III) complexes octahedral and for the Ni(II) complex square planar geometry were proposed, but the Cd(II) complex includes five coordinated structure. The Mn(II), Co(II) and Ni(II) complexes were found to be mononuclear and electrolytes. On the other hand Cd(II) complex was found to be dinuclear and non-electrolyte.

AtıfWoS12·OpenAlex9

İncele

Adiguzel, Ragip; Esener, Hasan; Ergin, Zuhal; Aktan, Ebru; Sekerci, Memet

In this study, the diazotized o-chloraniline was coupled with malononitrile. The ring closure reaction of the obtained product with hydrazine monohydrate yielded 4-(2-chlorophenylazo)-1H-pyrazole-3,5-diamine (L). The structure of ligand has been elucidated by spectroscopic analyses. Then, novel Ni(II), Cu(II), Cd(II) complexes of ligand have been synthesized and the structures of these complexes determined by elemental analysis, spectrometric and TGA/DTA methods and magnetic susceptibility measurements. All complexes were monomeric and diamagnetic. From the elemental analyses and mass spectra data, the complexes were proposed to the formulae [Ni2L2(Cl)(2)]center dot 2Cl center dot 0.5DMF center dot 0.5H(2)O(2), [Cu3L2(Cl)(4)(OH)(2)(H2O)(2)]center dot 0.5H(2)O and [Cd3L2(Cl)(2)(OH)(2)](Cl)(2)center dot 1.5H(2)O. For the Ni(II) complex square planar and for the Cu(II) complex octahedral geometry were proposed, but the Cd(II) complex includes both four and six coordinated structures. The Cu(II) and the Cd(II) complexes were found to be trinuclear. On the other hand the Ni(II) complex was found to be dinuclear.

AtıfWoS7

İncele