Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides: Synthesis, Crystal Structure, and DFT Study

Mikhail Alyapyshev, Vasiliy Babain, Lyudmila Tkachenko, Vladislav Gurzhiy, Andrey Zolotarev, Yuriy Ustynyuk, Igor Gloriozov, Alexander Lumpov, Dmitriy Dar'in, Alena Paulenova

Research output

4 Citations (Scopus)

Abstract

Two complexes of uranyl nitrate with N,N,N′,N′-tetrabutyl-2,6-pyridinedicarboxamide (TBuDPA) and N,N′-diethyl-N,N′-diphenyl-2,6-pyridinedicarboxamide (EtPhDPA) were synthesized and studied. The complex of tetraalkyl-2,6-pyridinedicarboxamide with metal nitrate was synthesized for the first time. XRD analysis revealed the different type of complexation: a 1:1 metal:ligand complex for EtPhDPA and complex with polymeric structure for TBuDPA. The quantum chemical calculations (DFT) confirm that both ligands form the most stable complexes that match the minimal values pre-organization energy of the ligands.

Original languageEnglish
Pages (from-to)585-592
Number of pages8
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume643
Issue number9
DOIs
Publication statusPublished - 4 May 2017

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Uranyl Nitrate
Discrete Fourier transforms
Crystal structure
Ligands
Metals
Complexation
Nitrates

Scopus subject areas

  • Inorganic Chemistry

Cite this

Alyapyshev, Mikhail ; Babain, Vasiliy ; Tkachenko, Lyudmila ; Gurzhiy, Vladislav ; Zolotarev, Andrey ; Ustynyuk, Yuriy ; Gloriozov, Igor ; Lumpov, Alexander ; Dar'in, Dmitriy ; Paulenova, Alena. / Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides : Synthesis, Crystal Structure, and DFT Study. In: Zeitschrift fur Anorganische und Allgemeine Chemie. 2017 ; Vol. 643, No. 9. pp. 585-592.
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Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides : Synthesis, Crystal Structure, and DFT Study. / Alyapyshev, Mikhail; Babain, Vasiliy; Tkachenko, Lyudmila; Gurzhiy, Vladislav; Zolotarev, Andrey; Ustynyuk, Yuriy; Gloriozov, Igor; Lumpov, Alexander; Dar'in, Dmitriy; Paulenova, Alena.

In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 643, No. 9, 04.05.2017, p. 585-592.

Research output

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T1 - Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides

T2 - Synthesis, Crystal Structure, and DFT Study

AU - Alyapyshev, Mikhail

AU - Babain, Vasiliy

AU - Tkachenko, Lyudmila

AU - Gurzhiy, Vladislav

AU - Zolotarev, Andrey

AU - Ustynyuk, Yuriy

AU - Gloriozov, Igor

AU - Lumpov, Alexander

AU - Dar'in, Dmitriy

AU - Paulenova, Alena

PY - 2017/5/4

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KW - 2,6-Pyridinedicarboxamides; Uranyl nitrate; Uranium; DFT; Pre-organization

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