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Dft Study Of Quantum Chemical Parameters Of 4-Amino-2-Mercaptobenzimidazole And Their Tautomeric Forms, Dilnoza Rahmonova, Alisher Eshimbetov, Lobar Gapurova, Zuhra Ch. Kadirova, Shakhnoza Kadirova
Dft Study Of Quantum Chemical Parameters Of 4-Amino-2-Mercaptobenzimidazole And Their Tautomeric Forms, Dilnoza Rahmonova, Alisher Eshimbetov, Lobar Gapurova, Zuhra Ch. Kadirova, Shakhnoza Kadirova
CHEMISTRY AND CHEMICAL ENGINEERING
Coordination competing donor centers, electronic and geometric structures of the 4-amino-2-mercaptobenzimidazole ligand molecule were studied using quantum chemical calculation by the DFT / 6-31G method (d, p). It was shown that during the formation of the metal complex, the ligand is coordinated through the localized nitrogen atom of the imidazole ring. In this study, the total energies (Etot) of 4-amino-2-mercaptobenzimidazole (1) and its tautomeric forms (2 and 3) were calculated. And also, the energies of boundary molecular orbitals, the energy gap between boundary MOs (ΔE) and the distribution of the total charge on atoms and boundary orbitals were determined. In …
Synthesis And Spectroscopic Study Of Complex Compounds Mn(Ii), Co(Ii), Cu(Ii) And Zn With 5-Amino-2-Mercaptobenzimidazole, Lobar Gapurova, Dilnoza Rakhmonova, Shakhnoza Kadirova
Synthesis And Spectroscopic Study Of Complex Compounds Mn(Ii), Co(Ii), Cu(Ii) And Zn With 5-Amino-2-Mercaptobenzimidazole, Lobar Gapurova, Dilnoza Rakhmonova, Shakhnoza Kadirova
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of this work is to study the effect of the nature of electron-donor and electron-withdrawing substituents in the molecules of heterocyclic ligands, the nature of acidoligands and transition metal ions on the properties of the synthesized coordination compounds. A method for the synthesis of new complex compounds of Mn (II), Cо (II), Cu (II) and Zn with 5-amino-2-mercaptobenzimidazole has been developed and the composition and structure of the synthesized complex compounds have been studied using modern physicochemical methods, such as elemental, thermogravimetric, X-ray phase analysis and IR spectroscopy. Coordination competing donor centers, electronic and geometric structures of the …
Synthesis And Spectroscopic Study Of Complex Compounds Of Mn(Ii), Co(Ii), Ni(Ii), Cu(Ii) And Zn(Ii) Acetates With 2-Aminobenzimidazole, Gapurova Lobar, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Olimova Manzura
Synthesis And Spectroscopic Study Of Complex Compounds Of Mn(Ii), Co(Ii), Ni(Ii), Cu(Ii) And Zn(Ii) Acetates With 2-Aminobenzimidazole, Gapurova Lobar, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Olimova Manzura
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of the work is to develop a synthesis procedure and obtain new complex compounds of transition metal acetates with 2-aminobenzimidazole (L), to study the composition and structure of the synthesized compounds by elemental, thermal, X-ray phase analysis and IR spectroscopy. A procedure for the synthesis of new complex compounds of Mn(II), Cо(II), Ni(II), Cu(II) and Zn acetates with 2-aminobenzimidazole was developed and the composition and structure of the synthesized complex compounds were studied using modern physicochemical methods. Coordination competing donor centers, electronic and geometric structures of the ligand molecule were studied on the basis of a quantum-chemical calculation …
Synthesis And Research Of New Heterometal Complexes Cо(Ii), Ni(Ii), Cu(Ii) And Mn(Ii) Based On V(V) And 5-(4-Pyridyl)-1,3,4-Oxadiazole-2(3h)-Thione Lubricants, Pirimova Mehribon, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Ziyayev Abduhakim
Synthesis And Research Of New Heterometal Complexes Cо(Ii), Ni(Ii), Cu(Ii) And Mn(Ii) Based On V(V) And 5-(4-Pyridyl)-1,3,4-Oxadiazole-2(3h)-Thione Lubricants, Pirimova Mehribon, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Ziyayev Abduhakim
CHEMISTRY AND CHEMICAL ENGINEERING
The oxadiazole derivatives complex compounds with metals are biologically active substances. The aim of the study was to study the interaction of the chlorides of Co (II), Ni (II), Cu (II) and Mn (II) with 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)–thione, ammonium vanadate. Competitive coordination of donor centers, electronic and geometric structures of the ligand molecule were studied on the basis of the quantum-chemical software package Gaussian09 LanL2DZ. It was shown that 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)-thione ligand is partially coordinated through a localized nitrogen or sulfur atoms at formation of the complex. А procedure was developed for the synthesis of new mixed-metal complexes. The composition and structure of …
Synthesis And Research Of New Heterometal Complexes Cо(Ii), Ni(Ii), Cu(Ii) And Mn(Ii) Based On V(V) And 5-(4-Pyridyl)-1,3,4-Oxadiazole-2(3h)-Thione Lubricants, Pirimova Mehribon, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Ziyayev Abduhakim
Synthesis And Research Of New Heterometal Complexes Cо(Ii), Ni(Ii), Cu(Ii) And Mn(Ii) Based On V(V) And 5-(4-Pyridyl)-1,3,4-Oxadiazole-2(3h)-Thione Lubricants, Pirimova Mehribon, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Ziyayev Abduhakim
CHEMISTRY AND CHEMICAL ENGINEERING
The oxadiazole derivatives complex compounds with metals are biologically active substances. The aim of the study was to study the interaction of the chlorides of Co (II), Ni (II), Cu (II) and Mn (II) with 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)–thione, ammonium vanadate. Competitive coordination of donor centers, electronic and geometric structures of the ligand molecule were studied on the basis of the quantum-chemical software package Gaussian09 LanL2DZ. It was shown that 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)-thione ligand is partially coordinated through a localized nitrogen or sulfur atoms at formation of the complex. А procedure was developed for the synthesis of new mixed-metal complexes. The composition and structure of …