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.

Авторы
Kovalchukova O. 1 , Ryabov M. 1 , Stash A. 2 , Berikashvili T.3
Издательство
Chemical Publishing Co.
Номер выпуска
4
Язык
Английский
Страницы
825-829
Статус
Опубликовано
Том
28
Год
2016
Организации
  • 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
Ключевые слова
4-Nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate anion; DFT/B3LYP modeling; Metal complexes
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/3970/
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