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EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits. / Zaytseva, Elena; Timofeev, Ivan; Krumkacheva, Olesya et al.

In: Applied Magnetic Resonance, Vol. 50, No. 8, 01.08.2019, p. 967-976.

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

Harvard

Zaytseva, E, Timofeev, I, Krumkacheva, O, Parkhomenko, D, Mazhukin, D, Sato, K, Matsuoka, H, Takui, T & Bagryanskaya, E 2019, 'EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits', Applied Magnetic Resonance, vol. 50, no. 8, pp. 967-976. https://doi.org/10.1007/s00723-019-01125-9

APA

Zaytseva, E., Timofeev, I., Krumkacheva, O., Parkhomenko, D., Mazhukin, D., Sato, K., Matsuoka, H., Takui, T., & Bagryanskaya, E. (2019). EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits. Applied Magnetic Resonance, 50(8), 967-976. https://doi.org/10.1007/s00723-019-01125-9

Vancouver

Zaytseva E, Timofeev I, Krumkacheva O, Parkhomenko D, Mazhukin D, Sato K et al. EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits. Applied Magnetic Resonance. 2019 Aug 1;50(8):967-976. doi: 10.1007/s00723-019-01125-9

Author

Zaytseva, Elena ; Timofeev, Ivan ; Krumkacheva, Olesya et al. / EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits. In: Applied Magnetic Resonance. 2019 ; Vol. 50, No. 8. pp. 967-976.

BibTeX

@article{5d53679744e4416586d1f0809506ba27,
title = "EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits",
abstract = " Three new mixed triradicals with small exchange coupling parameters (J ≪ A N ) were obtained on the base of a coupling reaction between the derivative of spirofused 2,5-dihydroimidazol-type monoradical and the two mol. equivalents of carboxylic acid derivatives of PROXYL-, TEMPO- or 2,5-dihydro-1H-pyrrol-type nitroxides. Their intramolecular magnetic interactions were characterized in terms of comparison of the CW X, Q- and W-band EPR spectra with those of the monoradical precursors. The dipole–dipole coupling parameters of the triradicals were estimated on the base of the quantum chemical calculations at UB3LYP/6-31G(d) level of theory. Two types of the spin distances were found in the triradicals: short—with the distance of 13–17 {\AA} (D ≈ 11–24 MHz) and long—with the distance of 21–23 {\AA} (D ≈ 4–6 MHz). The longest spin–spin as well as spin–lattice relaxation times at 50 K were detected for the triradical carrying the two TEMPO fragments, indicating the potential usage of three-spin qubit models for quantum gate operations. ",
keywords = "ELECTRON RESONANCE TRIER, DISTANCE MEASUREMENTS, PULSED ELECTRON, SERIES, ELDOR",
author = "Elena Zaytseva and Ivan Timofeev and Olesya Krumkacheva and Dmitryi Parkhomenko and Dmitrii Mazhukin and Kazunobu Sato and Hideto Matsuoka and Takeji Takui and Elena Bagryanskaya",
note = "Publisher Copyright: {\textcopyright} 2019, Springer-Verlag GmbH Austria, part of Springer Nature.",
year = "2019",
month = aug,
day = "1",
doi = "10.1007/s00723-019-01125-9",
language = "English",
volume = "50",
pages = "967--976",
journal = "Applied Magnetic Resonance",
issn = "0937-9347",
publisher = "Springer-Verlag GmbH and Co. KG",
number = "8",

}

RIS

TY - JOUR

T1 - EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits

AU - Zaytseva, Elena

AU - Timofeev, Ivan

AU - Krumkacheva, Olesya

AU - Parkhomenko, Dmitryi

AU - Mazhukin, Dmitrii

AU - Sato, Kazunobu

AU - Matsuoka, Hideto

AU - Takui, Takeji

AU - Bagryanskaya, Elena

N1 - Publisher Copyright: © 2019, Springer-Verlag GmbH Austria, part of Springer Nature.

PY - 2019/8/1

Y1 - 2019/8/1

N2 - Three new mixed triradicals with small exchange coupling parameters (J ≪ A N ) were obtained on the base of a coupling reaction between the derivative of spirofused 2,5-dihydroimidazol-type monoradical and the two mol. equivalents of carboxylic acid derivatives of PROXYL-, TEMPO- or 2,5-dihydro-1H-pyrrol-type nitroxides. Their intramolecular magnetic interactions were characterized in terms of comparison of the CW X, Q- and W-band EPR spectra with those of the monoradical precursors. The dipole–dipole coupling parameters of the triradicals were estimated on the base of the quantum chemical calculations at UB3LYP/6-31G(d) level of theory. Two types of the spin distances were found in the triradicals: short—with the distance of 13–17 Å (D ≈ 11–24 MHz) and long—with the distance of 21–23 Å (D ≈ 4–6 MHz). The longest spin–spin as well as spin–lattice relaxation times at 50 K were detected for the triradical carrying the two TEMPO fragments, indicating the potential usage of three-spin qubit models for quantum gate operations.

AB - Three new mixed triradicals with small exchange coupling parameters (J ≪ A N ) were obtained on the base of a coupling reaction between the derivative of spirofused 2,5-dihydroimidazol-type monoradical and the two mol. equivalents of carboxylic acid derivatives of PROXYL-, TEMPO- or 2,5-dihydro-1H-pyrrol-type nitroxides. Their intramolecular magnetic interactions were characterized in terms of comparison of the CW X, Q- and W-band EPR spectra with those of the monoradical precursors. The dipole–dipole coupling parameters of the triradicals were estimated on the base of the quantum chemical calculations at UB3LYP/6-31G(d) level of theory. Two types of the spin distances were found in the triradicals: short—with the distance of 13–17 Å (D ≈ 11–24 MHz) and long—with the distance of 21–23 Å (D ≈ 4–6 MHz). The longest spin–spin as well as spin–lattice relaxation times at 50 K were detected for the triradical carrying the two TEMPO fragments, indicating the potential usage of three-spin qubit models for quantum gate operations.

KW - ELECTRON RESONANCE TRIER

KW - DISTANCE MEASUREMENTS

KW - PULSED ELECTRON

KW - SERIES

KW - ELDOR

UR - http://www.scopus.com/inward/record.url?scp=85065028192&partnerID=8YFLogxK

U2 - 10.1007/s00723-019-01125-9

DO - 10.1007/s00723-019-01125-9

M3 - Article

AN - SCOPUS:85065028192

VL - 50

SP - 967

EP - 976

JO - Applied Magnetic Resonance

JF - Applied Magnetic Resonance

SN - 0937-9347

IS - 8

ER -

ID: 20038705