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Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst. / Буруева, Дудари Баировна; Сковпин, Иван Владимирович; Ковтунова, Лариса Михайловна et al.

In: Kinetics and Catalysis, Vol. 65, No. 6, 25.02.2025, p. 754-762.

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

Harvard

Буруева, ДБ, Сковпин, ИВ, Ковтунова, ЛМ, Коптюг, ИВ, Кононенко, ЕС & Бухтияров, ВИ 2025, 'Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst', Kinetics and Catalysis, vol. 65, no. 6, pp. 754-762. https://doi.org/10.1134/S0023158424602705

APA

Буруева, Д. Б., Сковпин, И. В., Ковтунова, Л. М., Коптюг, И. В., Кононенко, Е. С., & Бухтияров, В. И. (2025). Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst. Kinetics and Catalysis, 65(6), 754-762. https://doi.org/10.1134/S0023158424602705

Vancouver

Буруева ДБ, Сковпин ИВ, Ковтунова ЛМ, Коптюг ИВ, Кононенко ЕС, Бухтияров ВИ. Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst. Kinetics and Catalysis. 2025 Feb 25;65(6):754-762. doi: 10.1134/S0023158424602705

Author

Буруева, Дудари Баировна ; Сковпин, Иван Владимирович ; Ковтунова, Лариса Михайловна et al. / Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst. In: Kinetics and Catalysis. 2025 ; Vol. 65, No. 6. pp. 754-762.

BibTeX

@article{65dd5a697544433099fe1e78f68114e7,
title = "Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst",
abstract = "The Ir–P@SiO2 catalyst was prepared by immobilizing a dimeric Ir complex via interaction with –PPh2 groups of 2-diphenylphosphinoethyl-functionalized silica gel. The catalyst was tested in hydrogenations of butynes (1-butyne and 2-butyne) with parahydrogen. The experimentally observed 1H NMR spectra of hyperpolarized products are well-fitted with theoretical PASADENA spectra simulated with the use of spin density matrix formalism. The analysis of 1H NMR spectral lines of the products reveals that the catalyst is stereoselective in such reactions and the syn-addition of p-H2 takes place. Moreover, we demonstrate that the lineshape of hyperpolarized NMR signals of cis-2-butene is indicative of the mechanism of its formation. It was found that 2-butene produced during 1-butyne hydrogenation is formed from hyperpolarized 1-butene via isomerization. The maximum observed 1H polarization levels for 1-butene were 5.2 ± 0.5%.",
keywords = "hydrogenation, hyperpolarization, immobilized catalysts, nuclear magnetic resonance, parahydrogen, reaction mechanism",
author = "Буруева, {Дудари Баировна} and Сковпин, {Иван Владимирович} and Ковтунова, {Лариса Михайловна} and Коптюг, {Игорь Валентинович} and Кононенко, {Елизавета Сергеевна} and Бухтияров, {Валерий Иванович}",
note = "Dudari B. Burueva and Elizaveta S. Kononenko thank the Russian Science Foundation (grant no. 23-23-00394) for supporting PHIP experiments.",
year = "2025",
month = feb,
day = "25",
doi = "10.1134/S0023158424602705",
language = "English",
volume = "65",
pages = "754--762",
journal = "Kinetics and Catalysis",
issn = "0023-1584",
publisher = "Maik Nauka-Interperiodica Publishing",
number = "6",

}

RIS

TY - JOUR

T1 - Butynes Hydrogenation with Parahydrogen over Immobilized Iridium Catalyst

AU - Буруева, Дудари Баировна

AU - Сковпин, Иван Владимирович

AU - Ковтунова, Лариса Михайловна

AU - Коптюг, Игорь Валентинович

AU - Кононенко, Елизавета Сергеевна

AU - Бухтияров, Валерий Иванович

N1 - Dudari B. Burueva and Elizaveta S. Kononenko thank the Russian Science Foundation (grant no. 23-23-00394) for supporting PHIP experiments.

PY - 2025/2/25

Y1 - 2025/2/25

N2 - The Ir–P@SiO2 catalyst was prepared by immobilizing a dimeric Ir complex via interaction with –PPh2 groups of 2-diphenylphosphinoethyl-functionalized silica gel. The catalyst was tested in hydrogenations of butynes (1-butyne and 2-butyne) with parahydrogen. The experimentally observed 1H NMR spectra of hyperpolarized products are well-fitted with theoretical PASADENA spectra simulated with the use of spin density matrix formalism. The analysis of 1H NMR spectral lines of the products reveals that the catalyst is stereoselective in such reactions and the syn-addition of p-H2 takes place. Moreover, we demonstrate that the lineshape of hyperpolarized NMR signals of cis-2-butene is indicative of the mechanism of its formation. It was found that 2-butene produced during 1-butyne hydrogenation is formed from hyperpolarized 1-butene via isomerization. The maximum observed 1H polarization levels for 1-butene were 5.2 ± 0.5%.

AB - The Ir–P@SiO2 catalyst was prepared by immobilizing a dimeric Ir complex via interaction with –PPh2 groups of 2-diphenylphosphinoethyl-functionalized silica gel. The catalyst was tested in hydrogenations of butynes (1-butyne and 2-butyne) with parahydrogen. The experimentally observed 1H NMR spectra of hyperpolarized products are well-fitted with theoretical PASADENA spectra simulated with the use of spin density matrix formalism. The analysis of 1H NMR spectral lines of the products reveals that the catalyst is stereoselective in such reactions and the syn-addition of p-H2 takes place. Moreover, we demonstrate that the lineshape of hyperpolarized NMR signals of cis-2-butene is indicative of the mechanism of its formation. It was found that 2-butene produced during 1-butyne hydrogenation is formed from hyperpolarized 1-butene via isomerization. The maximum observed 1H polarization levels for 1-butene were 5.2 ± 0.5%.

KW - hydrogenation

KW - hyperpolarization

KW - immobilized catalysts

KW - nuclear magnetic resonance

KW - parahydrogen

KW - reaction mechanism

UR - https://www.mendeley.com/catalogue/d51830d8-c01b-3f69-847d-082d73a4ae0c/

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85218453694&origin=inward&txGid=3057a4ef39012c6682acf451ae3cb91f

U2 - 10.1134/S0023158424602705

DO - 10.1134/S0023158424602705

M3 - Article

VL - 65

SP - 754

EP - 762

JO - Kinetics and Catalysis

JF - Kinetics and Catalysis

SN - 0023-1584

IS - 6

ER -

ID: 64901535