Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)

Nikita A. Korobeynikov; Andrey N. Usoltsev; Taisiya S. Sukhikh; Alexander S. Novikov; Ilya V. Korolkov; Vladimir P. Fedin; Maxim N. Sokolov; Sergey A. Adonin

doi:10.1016/j.poly.2022.115876

Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)

Nikita A. Korobeynikov, Andrey N. Usoltsev, Taisiya S. Sukhikh, Alexander S. Novikov, Ilya V. Korolkov, Vladimir P. Fedin, Maxim N. Sokolov, Sergey A. Adonin

Факультет естественных наук

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

Аннотация

Dihalogen - halorhenates(IV) (Me₄N)₂{[ReX₆](X₂)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl₂ or Br₂ only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.

Язык оригинала	английский
Номер статьи	115876
Журнал	Polyhedron
Том	221
DOI	https://doi.org/10.1016/j.poly.2022.115876
Состояние	Опубликовано - 15 июл. 2022

Предметные области OECD FOS+WOS

2.05 ТЕХНОЛОГИЯ МАТЕРИАЛОВ
1.04 ХИМИЧЕСКИЕ НАУКИ

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10.1016/j.poly.2022.115876

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@article{7513e58c00004b6c93f75873c736f818,

title = "Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)",

abstract = "Dihalogen - halorhenates(IV) (Me4N)2{[ReX6](X2)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl2 or Br2 only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.",

keywords = "Bromine, Chlorine, Halogen bonding, Non-covalent interactions, Rhenium",

author = "Korobeynikov, {Nikita A.} and Usoltsev, {Andrey N.} and Sukhikh, {Taisiya S.} and Novikov, {Alexander S.} and Korolkov, {Ilya V.} and Fedin, {Vladimir P.} and Sokolov, {Maxim N.} and Adonin, {Sergey A.}",

note = "Funding Information: This work was supported by Russian Science Foundation (Grant No. 18-73-10040 ) and, in part, by the Ministry of Science and Higher Education of the Russian Federation (structural characterization of the samples, 121031700313-8 ). Publisher Copyright: {\textcopyright} 2022 Elsevier Ltd",

year = "2022",

month = jul,

day = "15",

doi = "10.1016/j.poly.2022.115876",

language = "English",

volume = "221",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier",

}

TY - JOUR

T1 - Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)

AU - Korobeynikov, Nikita A.

AU - Usoltsev, Andrey N.

AU - Sukhikh, Taisiya S.

AU - Novikov, Alexander S.

AU - Korolkov, Ilya V.

AU - Fedin, Vladimir P.

AU - Sokolov, Maxim N.

AU - Adonin, Sergey A.

N1 - Funding Information: This work was supported by Russian Science Foundation (Grant No. 18-73-10040 ) and, in part, by the Ministry of Science and Higher Education of the Russian Federation (structural characterization of the samples, 121031700313-8 ). Publisher Copyright: © 2022 Elsevier Ltd

PY - 2022/7/15

Y1 - 2022/7/15

N2 - Dihalogen - halorhenates(IV) (Me4N)2{[ReX6](X2)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl2 or Br2 only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.

AB - Dihalogen - halorhenates(IV) (Me4N)2{[ReX6](X2)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl2 or Br2 only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.

KW - Bromine

KW - Chlorine

KW - Halogen bonding

KW - Non-covalent interactions

KW - Rhenium

UR - http://www.scopus.com/inward/record.url?scp=85129423345&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2022.115876

DO - 10.1016/j.poly.2022.115876

M3 - Article

AN - SCOPUS:85129423345

VL - 221

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

M1 - 115876

ER -

Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)

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