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Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes. / Babenko, S. V.; Skovpin, I. V.; Burueva, D. B. et al.

In: Analytical Chemistry, Vol. 97, No. 38, 30.09.2025, p. 20843-20849.

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

Harvard

Babenko, SV, Skovpin, IV, Burueva, DB, Mustafin, NR, Chukanov, NV, Kovtunova, LM & Koptyug, IV 2025, 'Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes', Analytical Chemistry, vol. 97, no. 38, pp. 20843-20849. https://doi.org/10.1021/acs.analchem.5c02855

APA

Babenko, S. V., Skovpin, I. V., Burueva, D. B., Mustafin, N. R., Chukanov, N. V., Kovtunova, L. M., & Koptyug, I. V. (2025). Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes. Analytical Chemistry, 97(38), 20843-20849. https://doi.org/10.1021/acs.analchem.5c02855

Vancouver

Babenko SV, Skovpin IV, Burueva DB, Mustafin NR, Chukanov NV, Kovtunova LM et al. Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes. Analytical Chemistry. 2025 Sept 30;97(38):20843-20849. doi: 10.1021/acs.analchem.5c02855

Author

Babenko, S. V. ; Skovpin, I. V. ; Burueva, D. B. et al. / Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes. In: Analytical Chemistry. 2025 ; Vol. 97, No. 38. pp. 20843-20849.

BibTeX

@article{0bb2b649d41640fa869e446633b9fe6d,
title = "Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes",
abstract = "Heterogeneous parahydrogen-induced polarization (PHIP) offers a pathway to generate pure hyperpolarized molecular agents devoid of toxic catalysts. While conventional hydrogenative PHIP relies on hydrogenation with parahydrogen (p-H2) and breaking the equivalence of the p-H2-derived protons in the hydrogenation product, spontaneous net polarization is sometimes observed in symmetric systems. In this study, we explore a previously unreported case of net PHIP polarization in symmetric products of heterogeneous hydrogenation reactions in both gas and liquid phases. In particular, the effect was observed for ethylene and orthohydrogen (o-H2) produced in the heterogeneous hydrogenation reactions of acetylene and dimethyl acetylenedicarboxylate (DMAD), respectively, over an immobilized iridium-based catalyst complex. This polarized signal is amplified significantly under continuous-wave radiofrequency irradiation. By comparing these findings to a previously reported net polarization in dimethyl maleate obtained in a homogeneous hydrogenation reaction, we propose that asymmetric relaxation due to cross-correlation between chemical shift anisotropy (CSA) and dipolar coupling or between different dipolar couplings, which was suggested earlier for the homogeneous case, represents one of the possible mechanisms that could drive this phenomenon.",
author = "Babenko, {S. V.} and Skovpin, {I. V.} and Burueva, {D. B.} and Mustafin, {N. R.} and Chukanov, {N. V.} and Kovtunova, {L. M.} and Koptyug, {I. V.}",
note = "Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes / S. V. Babenko, I. V. Skovpin, D. B. Burueva, N. R. Mustafin, N. V. Chukanov, L. M. Kovtunova, I. V. Koptyug // Analytical Chemistry. - 2025. - Т. 97. № 38. - С. 20843-20849 ",
year = "2025",
month = sep,
day = "30",
doi = "10.1021/acs.analchem.5c02855",
language = "English",
volume = "97",
pages = "20843--20849",
journal = "Analytical Chemistry",
issn = "0003-2700",
publisher = "ACS Publication",
number = "38",

}

RIS

TY - JOUR

T1 - Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes

AU - Babenko, S. V.

AU - Skovpin, I. V.

AU - Burueva, D. B.

AU - Mustafin, N. R.

AU - Chukanov, N. V.

AU - Kovtunova, L. M.

AU - Koptyug, I. V.

N1 - Net Enhanced1H NMR Signals in Symmetric Molecules Produced via Heterogeneous Hydrogenation with Parahydrogen over Immobilized Metal Complexes / S. V. Babenko, I. V. Skovpin, D. B. Burueva, N. R. Mustafin, N. V. Chukanov, L. M. Kovtunova, I. V. Koptyug // Analytical Chemistry. - 2025. - Т. 97. № 38. - С. 20843-20849

PY - 2025/9/30

Y1 - 2025/9/30

N2 - Heterogeneous parahydrogen-induced polarization (PHIP) offers a pathway to generate pure hyperpolarized molecular agents devoid of toxic catalysts. While conventional hydrogenative PHIP relies on hydrogenation with parahydrogen (p-H2) and breaking the equivalence of the p-H2-derived protons in the hydrogenation product, spontaneous net polarization is sometimes observed in symmetric systems. In this study, we explore a previously unreported case of net PHIP polarization in symmetric products of heterogeneous hydrogenation reactions in both gas and liquid phases. In particular, the effect was observed for ethylene and orthohydrogen (o-H2) produced in the heterogeneous hydrogenation reactions of acetylene and dimethyl acetylenedicarboxylate (DMAD), respectively, over an immobilized iridium-based catalyst complex. This polarized signal is amplified significantly under continuous-wave radiofrequency irradiation. By comparing these findings to a previously reported net polarization in dimethyl maleate obtained in a homogeneous hydrogenation reaction, we propose that asymmetric relaxation due to cross-correlation between chemical shift anisotropy (CSA) and dipolar coupling or between different dipolar couplings, which was suggested earlier for the homogeneous case, represents one of the possible mechanisms that could drive this phenomenon.

AB - Heterogeneous parahydrogen-induced polarization (PHIP) offers a pathway to generate pure hyperpolarized molecular agents devoid of toxic catalysts. While conventional hydrogenative PHIP relies on hydrogenation with parahydrogen (p-H2) and breaking the equivalence of the p-H2-derived protons in the hydrogenation product, spontaneous net polarization is sometimes observed in symmetric systems. In this study, we explore a previously unreported case of net PHIP polarization in symmetric products of heterogeneous hydrogenation reactions in both gas and liquid phases. In particular, the effect was observed for ethylene and orthohydrogen (o-H2) produced in the heterogeneous hydrogenation reactions of acetylene and dimethyl acetylenedicarboxylate (DMAD), respectively, over an immobilized iridium-based catalyst complex. This polarized signal is amplified significantly under continuous-wave radiofrequency irradiation. By comparing these findings to a previously reported net polarization in dimethyl maleate obtained in a homogeneous hydrogenation reaction, we propose that asymmetric relaxation due to cross-correlation between chemical shift anisotropy (CSA) and dipolar coupling or between different dipolar couplings, which was suggested earlier for the homogeneous case, represents one of the possible mechanisms that could drive this phenomenon.

UR - https://www.mendeley.com/catalogue/12c84c22-49be-3d89-89bd-0df985a4ce3d/

UR - https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=105017372951&origin=inward

U2 - 10.1021/acs.analchem.5c02855

DO - 10.1021/acs.analchem.5c02855

M3 - Article

C2 - 40968109

VL - 97

SP - 20843

EP - 20849

JO - Analytical Chemistry

JF - Analytical Chemistry

SN - 0003-2700

IS - 38

ER -

ID: 70299937