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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: Contribution to journal › Article › peer-review

Harvard

Alyapyshev, M, Babain, V, Tkachenko, L, Gurzhiy, V, Zolotarev, A, Ustynyuk, Y, Gloriozov, I, Lumpov, A, Dar'in, D & Paulenova, A 2017, 'Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides: Synthesis, Crystal Structure, and DFT Study', Zeitschrift fur Anorganische und Allgemeine Chemie, vol. 643, no. 9, pp. 585-592. https://doi.org/10.1002/zaac.201700063

APA

Alyapyshev, M., Babain, V., Tkachenko, L., Gurzhiy, V., Zolotarev, A., Ustynyuk, Y., Gloriozov, I., Lumpov, A., Dar'in, D., & Paulenova, A. (2017). Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides: Synthesis, Crystal Structure, and DFT Study. Zeitschrift fur Anorganische und Allgemeine Chemie, 643(9), 585-592. https://doi.org/10.1002/zaac.201700063

Vancouver

Alyapyshev M, Babain V, Tkachenko L, Gurzhiy V, Zolotarev A, Ustynyuk Y et al. Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides: Synthesis, Crystal Structure, and DFT Study. Zeitschrift fur Anorganische und Allgemeine Chemie. 2017 May 4;643(9):585-592. https://doi.org/10.1002/zaac.201700063

Author

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.

BibTeX

@article{10a825475d60437bb8b7fcc5f0c4ebe5,
title = "Complexes of Uranyl Nitrate with 2,6-Pyridinedicarboxamides: Synthesis, Crystal Structure, and DFT Study",
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.",
keywords = "2,6-Pyridinedicarboxamides; Uranyl nitrate; Uranium; DFT; Pre-organization",
author = "Mikhail Alyapyshev and Vasiliy Babain and Lyudmila Tkachenko and Vladislav Gurzhiy and Andrey Zolotarev and Yuriy Ustynyuk and Igor Gloriozov and Alexander Lumpov and Dmitriy Dar'in and Alena Paulenova",
year = "2017",
month = may,
day = "4",
doi = "10.1002/zaac.201700063",
language = "English",
volume = "643",
pages = "585--592",
journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",
issn = "0044-2313",
publisher = "Wiley-Blackwell",
number = "9",

}

RIS

TY - JOUR

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

Y1 - 2017/5/4

N2 - 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.

AB - 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.

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

UR - http://www.scopus.com/inward/record.url?scp=85017347779&partnerID=8YFLogxK

U2 - 10.1002/zaac.201700063

DO - 10.1002/zaac.201700063

M3 - Article

AN - SCOPUS:85017347779

VL - 643

SP - 585

EP - 592

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

SN - 0044-2313

IS - 9

ER -

ID: 9131863