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Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy. / Sannikova, Victoria A.; Davydova, Maria P.; Sherin, Peter S. et al.

In: Journal of Physical Chemistry A, Vol. 123, No. 2, 17.01.2019, p. 505-516.

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

Harvard

Sannikova, VA, Davydova, MP, Sherin, PS, Babenko, SV, Korolev, VV, Stepanov, AA, Nikul'Shin, PV, Kalneus, EV, Vasilevsky, SF, Benassi, E & Melnikov, AR 2019, 'Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy', Journal of Physical Chemistry A, vol. 123, no. 2, pp. 505-516. https://doi.org/10.1021/acs.jpca.8b10306

APA

Sannikova, V. A., Davydova, M. P., Sherin, P. S., Babenko, S. V., Korolev, V. V., Stepanov, A. A., Nikul'Shin, P. V., Kalneus, E. V., Vasilevsky, S. F., Benassi, E., & Melnikov, A. R. (2019). Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy. Journal of Physical Chemistry A, 123(2), 505-516. https://doi.org/10.1021/acs.jpca.8b10306

Vancouver

Sannikova VA, Davydova MP, Sherin PS, Babenko SV, Korolev VV, Stepanov AA et al. Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy. Journal of Physical Chemistry A. 2019 Jan 17;123(2):505-516. doi: 10.1021/acs.jpca.8b10306

Author

Sannikova, Victoria A. ; Davydova, Maria P. ; Sherin, Peter S. et al. / Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy. In: Journal of Physical Chemistry A. 2019 ; Vol. 123, No. 2. pp. 505-516.

BibTeX

@article{a3c7d28c0f9846a6b21ff68df47375b8,
title = "Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy",
abstract = "Magnetic field-affected reaction yield (MARY) spectroscopy is a spin chemistry technique for detecting short-lived radical ions. Having sensitivity to transient species with lifetimes as short as nanoseconds, MARY spectroscopy usually does not provide detailed information on their magnetic resonance parameters, except for simple systems with equivalent magnetic nuclei. In this work, the radical anions of two fluorinated diphenylacetylene derivatives with nonequivalent magnetic nuclei and unknown hyperfine coupling constants (AHF) were investigated by MARY spectroscopy. The MARY spectra were found to be resolved and have resonance lines in nonzero magnetic fields, which are determined by the AHF values. Simple relationships between the positions of resonance MARY lines and the AHF values were established from the analysis of the different Hamiltonian block contributions to the MARY spectrum. The obtained experimental AHF values are in agreement with the results of quantum chemical calculations at the density functional theory level.",
keywords = "ELECTRON-SPIN POLARIZATION, OPTICAL-DETECTION, ION-PAIRS, RECOMBINATION FLUORESCENCE, INTRAMOLECULAR DYNAMICS, MARY SPECTROSCOPY, QUANTUM COHERENCE, ESR-SPECTRA, RESONANCE, SYSTEMS",
author = "Sannikova, {Victoria A.} and Davydova, {Maria P.} and Sherin, {Peter S.} and Babenko, {Simon V.} and Korolev, {Valeri V.} and Stepanov, {Alexander A.} and Nikul'Shin, {Pavel V.} and Kalneus, {Evgeny V.} and Vasilevsky, {Sergei F.} and Enrico Benassi and Melnikov, {Anatoly R.}",
year = "2019",
month = jan,
day = "17",
doi = "10.1021/acs.jpca.8b10306",
language = "English",
volume = "123",
pages = "505--516",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "2",

}

RIS

TY - JOUR

T1 - Determination of Hyperfine Coupling Constants of Fluorinated Diphenylacetylene Radical Anions by Magnetic Field-Affected Reaction Yield Spectroscopy

AU - Sannikova, Victoria A.

AU - Davydova, Maria P.

AU - Sherin, Peter S.

AU - Babenko, Simon V.

AU - Korolev, Valeri V.

AU - Stepanov, Alexander A.

AU - Nikul'Shin, Pavel V.

AU - Kalneus, Evgeny V.

AU - Vasilevsky, Sergei F.

AU - Benassi, Enrico

AU - Melnikov, Anatoly R.

PY - 2019/1/17

Y1 - 2019/1/17

N2 - Magnetic field-affected reaction yield (MARY) spectroscopy is a spin chemistry technique for detecting short-lived radical ions. Having sensitivity to transient species with lifetimes as short as nanoseconds, MARY spectroscopy usually does not provide detailed information on their magnetic resonance parameters, except for simple systems with equivalent magnetic nuclei. In this work, the radical anions of two fluorinated diphenylacetylene derivatives with nonequivalent magnetic nuclei and unknown hyperfine coupling constants (AHF) were investigated by MARY spectroscopy. The MARY spectra were found to be resolved and have resonance lines in nonzero magnetic fields, which are determined by the AHF values. Simple relationships between the positions of resonance MARY lines and the AHF values were established from the analysis of the different Hamiltonian block contributions to the MARY spectrum. The obtained experimental AHF values are in agreement with the results of quantum chemical calculations at the density functional theory level.

AB - Magnetic field-affected reaction yield (MARY) spectroscopy is a spin chemistry technique for detecting short-lived radical ions. Having sensitivity to transient species with lifetimes as short as nanoseconds, MARY spectroscopy usually does not provide detailed information on their magnetic resonance parameters, except for simple systems with equivalent magnetic nuclei. In this work, the radical anions of two fluorinated diphenylacetylene derivatives with nonequivalent magnetic nuclei and unknown hyperfine coupling constants (AHF) were investigated by MARY spectroscopy. The MARY spectra were found to be resolved and have resonance lines in nonzero magnetic fields, which are determined by the AHF values. Simple relationships between the positions of resonance MARY lines and the AHF values were established from the analysis of the different Hamiltonian block contributions to the MARY spectrum. The obtained experimental AHF values are in agreement with the results of quantum chemical calculations at the density functional theory level.

KW - ELECTRON-SPIN POLARIZATION

KW - OPTICAL-DETECTION

KW - ION-PAIRS

KW - RECOMBINATION FLUORESCENCE

KW - INTRAMOLECULAR DYNAMICS

KW - MARY SPECTROSCOPY

KW - QUANTUM COHERENCE

KW - ESR-SPECTRA

KW - RESONANCE

KW - SYSTEMS

UR - http://www.scopus.com/inward/record.url?scp=85059757031&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.8b10306

DO - 10.1021/acs.jpca.8b10306

M3 - Article

C2 - 30566354

AN - SCOPUS:85059757031

VL - 123

SP - 505

EP - 516

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 2

ER -

ID: 18108858