Synthesis, crystal, molecular structure and theoretical modeling of [Fe(H2O)6]L2·2H2O and [Cr0.14Mn0.86(H2O)6]L2·2H2O (L = 4-Nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion)

The crystal and molecular structures of [Fe(H2O)6]L2·2H2O and [Cr0.14Mn0.86(H2O)6]L2·2H2O (L = 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion) were detected by X-ray analysis. It was shown that the above mentioned organic anion cannot replace water molecules from the coordination sphere of transition metal complexes. According to the DFT/B3LYP calculations, the low complexing ability of 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion in comparison with its carbocyclic analogues is determined by the features of the electronic structure of 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion.

Authors
Kovalchukova O. 1 , Ryabov M. 1 , Stash A. 2 , Berikashvili T.3
Editors
-
Publisher
Chemical Publishing Co.
Number of issue
4
Language
English
Pages
825-829
Status
Published
Department
-
Number
-
Volume
28
Year
2016
Organizations
  • 1 Department of General Chemistry, Peoples' Friendship University of Russia, Moscow, Russian Federation
  • 2 Karpov Institute of Physical Chemistry, Moscow, Russian Federation
  • 3 Department of Physics, Georgian Technical University, Tbilisi, Georgia
Keywords
4-Nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion; DFT/B3LYP modeling; Metal complexes
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/3970/