Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands

Danila Vasilchenko; Sofia Vorobieva; Iraida Baidina; Dmitry Piryazev; Athanassios Tsipis; Sergey Korenev

doi:10.1016/j.poly.2018.03.017

Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands

Danila Vasilchenko, Sofia Vorobieva, Iraida Baidina, Dmitry Piryazev, Athanassios Tsipis, Sergey Korenev

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

1 Цитирования (Scopus)

Аннотация

A novel rhodium [Rh(NO₃)₅]²⁻ anionic complex with mixed denticity of nitrato ligands was isolated in a form of its poorly soluble caesium salt. The structure of the salt was studied by an X-ray single crystal method. DFT-based theoretical studies were carried out to gain insights into the electronic structure and the properties of the [Rh(NO₃)₅]²⁻ complex. The calculated ¹⁵N NMR chemical shifts of nitrato groups in [Rh(NO₃)₅]²⁻ complex was found to become sensitive to the nitrate ligand coordination bonding mode upon ion-pairing with caesium cations. In good agreement with experimental findings, the DFT calculated free energies for the addition of H₂O or NO₃ ⁻ ligands to the [Rh(NO₃)₅]²⁻ complex points to its low hydrolytic stability.

Язык оригинала	английский
Страницы (с-по)	69-74
Число страниц	6
Журнал	Polyhedron
Том	147
DOI	https://doi.org/10.1016/j.poly.2018.03.017
Состояние	Опубликовано - 1 июн 2018

Предметные области OECD FOS+WOS

1.04 ХИМИЧЕСКИЕ НАУКИ

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10.1016/j.poly.2018.03.017

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title = "Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands",

abstract = "A novel rhodium [Rh(NO3)5]2− anionic complex with mixed denticity of nitrato ligands was isolated in a form of its poorly soluble caesium salt. The structure of the salt was studied by an X-ray single crystal method. DFT-based theoretical studies were carried out to gain insights into the electronic structure and the properties of the [Rh(NO3)5]2− complex. The calculated 15N NMR chemical shifts of nitrato groups in [Rh(NO3)5]2− complex was found to become sensitive to the nitrate ligand coordination bonding mode upon ion-pairing with caesium cations. In good agreement with experimental findings, the DFT calculated free energies for the addition of H2O or NO3 − ligands to the [Rh(NO3)5]2− complex points to its low hydrolytic stability.",

keywords = "DFT, Nitrato complexes, NMR, Rhodium, NMR CHEMICAL-SHIFTS, PBE0 MODEL, FISSION PLATINOIDS, ADJUSTABLE-PARAMETERS, NITRIC-ACID",

author = "Danila Vasilchenko and Sofia Vorobieva and Iraida Baidina and Dmitry Piryazev and Athanassios Tsipis and Sergey Korenev",

year = "2018",

month = jun,

day = "1",

doi = "10.1016/j.poly.2018.03.017",

language = "English",

volume = "147",

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journal = "Polyhedron",

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publisher = "Elsevier",

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Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands. / Vasilchenko, Danila; Vorobieva, Sofia; Baidina, Iraida; Piryazev, Dmitry; Tsipis, Athanassios; Korenev, Sergey.

В: Polyhedron, Том 147, 01.06.2018, стр. 69-74.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

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T1 - Structure and properties of a rhodium(III) pentanitrato complex embracing uni- and bidentate nitrato ligands

AU - Vasilchenko, Danila

AU - Vorobieva, Sofia

AU - Baidina, Iraida

AU - Piryazev, Dmitry

AU - Tsipis, Athanassios

AU - Korenev, Sergey

PY - 2018/6/1

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N2 - A novel rhodium [Rh(NO3)5]2− anionic complex with mixed denticity of nitrato ligands was isolated in a form of its poorly soluble caesium salt. The structure of the salt was studied by an X-ray single crystal method. DFT-based theoretical studies were carried out to gain insights into the electronic structure and the properties of the [Rh(NO3)5]2− complex. The calculated 15N NMR chemical shifts of nitrato groups in [Rh(NO3)5]2− complex was found to become sensitive to the nitrate ligand coordination bonding mode upon ion-pairing with caesium cations. In good agreement with experimental findings, the DFT calculated free energies for the addition of H2O or NO3 − ligands to the [Rh(NO3)5]2− complex points to its low hydrolytic stability.

AB - A novel rhodium [Rh(NO3)5]2− anionic complex with mixed denticity of nitrato ligands was isolated in a form of its poorly soluble caesium salt. The structure of the salt was studied by an X-ray single crystal method. DFT-based theoretical studies were carried out to gain insights into the electronic structure and the properties of the [Rh(NO3)5]2− complex. The calculated 15N NMR chemical shifts of nitrato groups in [Rh(NO3)5]2− complex was found to become sensitive to the nitrate ligand coordination bonding mode upon ion-pairing with caesium cations. In good agreement with experimental findings, the DFT calculated free energies for the addition of H2O or NO3 − ligands to the [Rh(NO3)5]2− complex points to its low hydrolytic stability.

KW - DFT

KW - Nitrato complexes

KW - NMR

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KW - NMR CHEMICAL-SHIFTS

KW - PBE0 MODEL

KW - FISSION PLATINOIDS

KW - ADJUSTABLE-PARAMETERS

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