Standard

Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding. / Рожков, Антон Викторович; Burguera, Sergi; Frontera, Antonio; Кукушкин, Вадим Юрьевич.

In: Crystal Growth and Design, Vol. 24, No. 22, 07.11.2024, p. 9581-9589.

Research output: Contribution to journal › Article › peer-review

Harvard

Рожков, АВ, Burguera, S, Frontera, A & Кукушкин, ВЮ 2024, 'Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding', Crystal Growth and Design, vol. 24, no. 22, pp. 9581-9589. https://doi.org/10.1021/acs.cgd.4c01104

APA

Рожков, А. В., Burguera, S., Frontera, A., & Кукушкин, В. Ю. (2024). Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding. Crystal Growth and Design, 24(22), 9581-9589. https://doi.org/10.1021/acs.cgd.4c01104

Vancouver

Рожков АВ, Burguera S, Frontera A, Кукушкин ВЮ. Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding. Crystal Growth and Design. 2024 Nov 7;24(22):9581-9589. https://doi.org/10.1021/acs.cgd.4c01104

Author

Рожков, Антон Викторович ; Burguera, Sergi ; Frontera, Antonio ; Кукушкин, Вадим Юрьевич. / Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding. In: Crystal Growth and Design. 2024 ; Vol. 24, No. 22. pp. 9581-9589.

BibTeX

@article{76a30abbb4bb4e4f8a8c743bc89ed8fd,
title = "Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding",
abstract = "The diketonate complexes M(acac)2 (M = Pd (1), Pt (2)) were cocrystallized with bis(perfluoropyridin-4-yl)tellane (PyF2Te). Single-crystal X-ray studies of the resulting adducts revealed that the binding mode and stoichiometry between the coformers dramatically depend on the identity of metal sites. Pd(acac)2 formed adduct 13·(PyF2Te)2 where Te···Cacac and πhole···Pd noncovalent interactions were detected. In contrast to 1, Pt(acac)2 formed adduct 2·PyF2Te where the Te···Pt metal-involving chalcogen bond was observed. Various DFT methods, including the calculation of fully optimized dimeric assemblies and their mutated dimers, allowed for a detailed examination of the corresponding metal-involving noncovalent interactions. Our findings support the notion that metal-involving interactions are the primary structure-determining factors, and the formal transition to the Te···Pt chalcogen bond can be attributed to the increased dz2-nucleophilicity of the platinum atom compared to the palladium site.",
keywords = "chalcogen bond, platinum, palladium",
author = "Рожков, {Антон Викторович} and Sergi Burguera and Antonio Frontera and Кукушкин, {Вадим Юрьевич}",
year = "2024",
month = nov,
day = "7",
doi = "10.1021/acs.cgd.4c01104",
language = "English",
volume = "24",
pages = "9581--9589",
journal = "Crystal Growth and Design",
issn = "1528-7483",
publisher = "American Chemical Society",
number = "22",

}

RIS

TY - JOUR

T1 - Formal Metal-Dependent (M = Pt, Pd) Switching between Arene π-Hole and σ-(Te)-Hole in the Arenetellurium(II) Noncovalent Binding

AU - Рожков, Антон Викторович

AU - Burguera, Sergi

AU - Frontera, Antonio

AU - Кукушкин, Вадим Юрьевич

PY - 2024/11/7

Y1 - 2024/11/7

N2 - The diketonate complexes M(acac)2 (M = Pd (1), Pt (2)) were cocrystallized with bis(perfluoropyridin-4-yl)tellane (PyF2Te). Single-crystal X-ray studies of the resulting adducts revealed that the binding mode and stoichiometry between the coformers dramatically depend on the identity of metal sites. Pd(acac)2 formed adduct 13·(PyF2Te)2 where Te···Cacac and πhole···Pd noncovalent interactions were detected. In contrast to 1, Pt(acac)2 formed adduct 2·PyF2Te where the Te···Pt metal-involving chalcogen bond was observed. Various DFT methods, including the calculation of fully optimized dimeric assemblies and their mutated dimers, allowed for a detailed examination of the corresponding metal-involving noncovalent interactions. Our findings support the notion that metal-involving interactions are the primary structure-determining factors, and the formal transition to the Te···Pt chalcogen bond can be attributed to the increased dz2-nucleophilicity of the platinum atom compared to the palladium site.

AB - The diketonate complexes M(acac)2 (M = Pd (1), Pt (2)) were cocrystallized with bis(perfluoropyridin-4-yl)tellane (PyF2Te). Single-crystal X-ray studies of the resulting adducts revealed that the binding mode and stoichiometry between the coformers dramatically depend on the identity of metal sites. Pd(acac)2 formed adduct 13·(PyF2Te)2 where Te···Cacac and πhole···Pd noncovalent interactions were detected. In contrast to 1, Pt(acac)2 formed adduct 2·PyF2Te where the Te···Pt metal-involving chalcogen bond was observed. Various DFT methods, including the calculation of fully optimized dimeric assemblies and their mutated dimers, allowed for a detailed examination of the corresponding metal-involving noncovalent interactions. Our findings support the notion that metal-involving interactions are the primary structure-determining factors, and the formal transition to the Te···Pt chalcogen bond can be attributed to the increased dz2-nucleophilicity of the platinum atom compared to the palladium site.

KW - chalcogen bond

KW - platinum

KW - palladium

UR - https://www.mendeley.com/catalogue/2eddfa7f-817e-379d-89f7-37b6f2fad773/

U2 - 10.1021/acs.cgd.4c01104

DO - 10.1021/acs.cgd.4c01104

M3 - Article

VL - 24

SP - 9581

EP - 9589

JO - Crystal Growth and Design

JF - Crystal Growth and Design

SN - 1528-7483

IS - 22

ER -

ID: 127401531