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Open Access. Powered by Scholars. Published by Universities.®

2020

CHEMISTRY AND CHEMICAL ENGINEERING

Lowest unoccupied molecular orbitals (LUMO)

Articles 1 - 3 of 3

Full-Text Articles in Engineering

Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part 2. Zn, Fe, Ni), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan Oct 2020

Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part 2. Zn, Fe, Ni), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan

CHEMISTRY AND CHEMICAL ENGINEERING

With the aim of determination of electronic and geometrical structures of mixed-ligand complexes, theoretical modeling of the structures of coordination compounds of transition metals with dialkyldithiophosphate chelating ligands with aminobenzimidazoles carried out using quantum chemical methods. Using BIOVIA Materials Accelrys Studio 2017 software packages, the geometry, electron density distribution, and frontier orbitals calculated for the mixed ligand complexes Zn(II), Cu(II), Ni(II), Fe(III), which is necessary for understanding the electronic structure of coordination compounds with chelating ligands.


Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part I: Au, Pt, Ag), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan Oct 2020

Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part I: Au, Pt, Ag), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan

CHEMISTRY AND CHEMICAL ENGINEERING

With the aim of determination of electronic and geometrical structures of mixed-ligand complexes, theoretical modeling of the structures of coordination compounds of transition metals with dialkyldithiophosphate chelating ligands with aminobenzimidazoles carried out using quantum chemical methods. Using BIOVIA Materials Accelrys Studio 2017 software packages, the geometry, electron density distribution, and frontier orbitals calculated for the mixed ligand complexes of Au(III), Pt(II), Ag(I), Cu(II), Ni(II), Fe(III), which are necessary for understanding the electronic structure of coordination compounds with chelating ligands.


Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part I: Au, Pt, Ag), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan Jun 2020

Configuration And Competitive Reactivity Of Ligands In Mixed Ligand Complexes Of Dialkylditiophosphates And Aminobenbenzimidazole (Part I: Au, Pt, Ag), Esbergenova Botakoz, Daminova Shakhlo, Kadirova Zuhra, Sharipov Khasan

CHEMISTRY AND CHEMICAL ENGINEERING

With the aim of determination of electronic and geometrical structures of mixed-ligand complexes, theoretical modeling of the structures of coordination compounds of transition metals with dialkyldithiophosphate chelating ligands with aminobenzimidazoles carried out using quantum chemical methods. Using BIOVIA Materials Accelrys Studio 2017 software packages, the geometry, electron density distribution, and frontier orbitals calculated for the mixed ligand complexes of Au(III), Pt(II), Ag(I), Cu(II), Ni(II), Fe(III), which are necessary for understanding the electronic structure of coordination compounds with chelating ligands.