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Schegoleva Lyudmila Nikolaevna
Positions:
Leading Researcher (Doct. Chem), LEACM
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Personal publicalions (DB NIOCh)
2022
Reviews, articles
- I.V. Beregovaya, L.N. Shchegoleva
Potential energy surfaces of a stacked dimer of benzene and its radical cation: what remains and what appears
Phys. Chem. Chem. Phys., 2022, V. 24, N 29, Pp 17547-17560 doi:10.1039/D2CP01691E, IF=3.945 - R.V. Andreev, I.V. Beregovaya, L.N. Shchegoleva
Fragmentation of intermediate radical anions determines the main features of the hydrodefluorination of isomeric perfluoroxylenes. Quantum chemical substantiation
Journal of Fluorine Chemistry, 2022, V. 257-258, 109976 doi:10.1016/j.jfluchem.2022.109976, IF=2.226
2020
Reviews, articles
- V.I. Borovkov, P.A. Potashov, I.V. Beregovaya, L.N. Shchegoleva, Yu.N. Molin
Primary Radical Cations in Irradiated Poly(isobutylene)
The Journal of Physical Chemistry B, 2020, V. 124, N 32 , Pp 7059-7066 doi:10.1021/acs.jpcb.0c03280, IF=2.857 - R.V. Andreev, I.V. Beregovaya, L.N. Shchegoleva
Unexpected hydrodefluorination of 3-Cl-tetrafluoropyridine. Interpretation through analysis of the potential energy surface for its radical anion
Journal of Fluorine Chemistry, 2020, V. 234, 109513 doi:10.1016/j.jfluchem.2020.109513, IF=2.332
2019
Reviews, articles
- I. V. Beregovaya, L. N. Shchegoleva, D.A. Ovchinnikov, S.V. Blinkova, V.I. Borovkov, R.Andreev, V.A. Bagryansky, Yu.N. Molin
Dimer Radical Anions of Polyfluoroarenes. Two More to a Small Family
The Journal of Physical Chemistry A, 2019, 123, 51, 10968-10975 doi:10.1021/acs.jpca.9b09906, IF=2.641 - V.I. Borovkov, L.N. Shchegoleva
Magnetic Resonance Characteristics of Negative Polarons in Neat Poly(3-hexyl-thiophene)
Journal of Physical Chemistry C, 2019, 123, 46, 28058-28065 doi:10.1021/acs.jpcc.9b08331, IF=4.309 - И.В. Береговая, Р.В. Андреев, Л.Н. Щеголева
Псевдопревращение катион-радикала бензола, ассоциированного с молекулой HCN или CH3CN
Журнал структурной химии, 2019, Т. 60, N 10, Cc 1643-1648, DOI:10.26902/JSC_id47027 (Pseudorotation of the Benzene Radical Cation Associated with HCN or CH3CN Molecules/ I. V. Beregovaya, R. V. Andreev, L. N. Shchegoleva// Journal of Structural Chemistry, 2019, V. 60, N 10, pp 1578-1583 doi:10.1134/S0022476619100020), IF=0.541 - A.M. Genaev, L.N. Shchegoleva, G.E. Salnikov, A.V. Shernyukov, L.A. Shundrin, I.K. Shundrina, Z. Zhu, K.Yu. Koltunov
Acid-Catalyzed vs. Thermally Induced C1-C1' Bond Cleavage in 1,1'-Bi-2-naphthol. An Experimental and Theoretical Study
J. Org. Chem., 2019, V. 84, N 11, Pp 7238-7243 doi:10.1021/acs.joc.9b00915, IF=4.745 - И.В. Береговая, Л.Н. Щеголева, В.И. Боровков, В.М. Карпов
Анион-радикал перфторбензоциклобутена - структурно нежесткая частица
Журнал структурной химии. 2019. Т. 60. № 3. С. 392-395. DOI:10.26902/JSC_id39468 (Perfluorobenzocyclobutene radical anion: A structurally flexible particle/ I.V. Beregovaya, L.N. Shchegoleva, V.I. Borovkov, V.M. Karpov// Journal of Structural Chemistry, 2019, V. 60, N 3, pp 373-376 doi:10.1134/S0022476619030041), IF=0.541
2018
Reviews, articles
- V.I. Borovkov, V.A. Bagryansky, G.A. Letyagin, I.V. Beregovaya, L.N. Shchegoleva, Y.N. Molin
Manifestation of g-tensor anisotropy in the quantum beats of spin-correlated radical ion pairs
Chemical Physics Letters, 2018, V. 712, Pages 208-213 doi:10.1016/j.cplett.2018.10.004, IF=1.685
2017
Reviews, articles
- A.D. Skolyapova, G.A. Selivanova, E.V. Tretyakov, T.F. Bogdanova, L.N. Shchegoleva, I.Yu. Bagryanskaya, L.Yu. Gurskaya, V.D. Shteingarts
Interaction of polyfluorinated 2-chloroquinolines with ammonia
Tetrahedron, 2017, V. 73, N 9, Pp 1219-1229 doi:10.1016/j.tet.2017.01.026, IF=2.651
2016
Reviews, articles
- D.E. Mashkantsev, I.V. Beregovaya, L.N. Shchegoleva
Position-dependent fragmentation mechanism for radical anions of fluorinated benzoates
Journal of Fluorine Chemistry, 2016, V. 188, August 2016, Pp 171-176 doi:10.1016/j.jfluchem.2016.07.002, IF=2.213 - L.N. Shchegoleva, I.V. Beregovaya
Potential energy surface as a key to understanding the structure and properties of short-living radical ions of cyclic organic molecules
International Journal of Quantum Chemistry, V. 116, N 3, February 5, 2016, Pp 161-173, Special Issue: Theoretical Chemistry in Russia doi:10.1002/qua.24999, IF=2.184
2015
Reviews, articles
- K.S. Taletskiy, V.I. Borovkov, L.N. Schegoleva, I.V. Beregovaya, A.I. Taratayko, Y.N. Molin
Radical Cationic Pathway for the Decay of Ionized Glyme Molecules in Liquid Solution
Journal of Physical Chemistry B, 2015, V. 119, N 45, Pages 14472-14478 doi:10.1021/acs.jpcb.5b06086, IF=3.302 - V.I. Borovkov, I.V. Beregovaya, L.N. Shchegoleva, S.V. Blinkova, D.A. Ovchinnikov, L.Yu. Gurskaya, V.D. Shteingarts, V.A. Bagryansky, Yu.N. Molin
Structure and Stability of Pentafluoroaniline and 4-Aminononafluorobiphenyl Radical Anions: Optically Detected Electron Paramagnetic Resonance, Time-Resolved Fluorescence, Time-Resolved Magnetic Field Effect, and Quantum Chemical Study
J. Phys. Chem. A, 2015, 119 (31), pp 8443–8451 doi:10.1021/acs.jpca.5b02617, IF=2.693 - R.Yu. Peshkov, E.V. Panteleeva, L.N. Shchegoleva, I.Yu. Bagryanskaya, T.V. Rybalova, N.V. Vasilieva, V.D. Shteingarts
Synthesis of 2-X-, 3-X-4,4'-Dicyanobiphenyls (X = CH3, OCH3, F) by Cross-Coupling of the Terephthalonitrile Dianion with Substituted Benzonitriles
European Journal of Organic Chemistry, V. 2015, N 20, pp 4524-4531, July 2015 doi:10.1002/ejoc.201500295, IF=3.65 - В.И. Боровков, И.В. Береговая, Л.Н. Щеголева, С.В. Блинкова, Г.А. Летягин, В.А. Багрянский, Ю.Н. Молин
Времяразрешенный магнитный эффект как метод изучения ион-радикальных пар с быстрой эволюцией спинового состояния
Доклады Академии Наук (Физ.химия), 2015, Т. 462, № 2, Сс. 178-181 (Time-resolved magnetic field effect as a method of studying radical pairs with rapid evolution of spin state/ V. I. Borovkov, I. V. Beregovaya, L. N. Shchegoleva, S. V. Blinkova, G. A. Letyagin, V. A. Bagryansky, Yu. N. Molin// Doklady Physical Chemistry, May 2015, Volume 462, Issue 1, pp 103-106 doi:10.1134/S0012501615050024), IF=0.586
2014
Reviews, articles
- I.V. Beregovaya, L.N. Shchegoleva
Pseudorotation as a mechanism for intramolecular electron density transfer. Fragmentation of the octafluoronaphthalene radical anion
Journal of Fluorine Chemistry, 2014, V. 163, Pp 1-6. doi:10.1016/j.jfluchem.2014.03.010, IF=1.952 - К.С. Талецкий, В.И. Боровков, Л.Н. Щеголева, И.В. Береговая, В.А. Багрянский, Ю.Н. Молин
Необычная трансформация первичных катион-радикалов в облученном жидком тетрагидрофуране.
Доклады академии наук (Физическая химия), 2014, том 455, № 2, с. 171-174 (Unusual transformation of primary radical cations in irradiated liquid tetrahydrofuran/ K. S. Taletskiy, V. I. Borovkov, L. N. Shchegoleva, I. V. Beregovaya, V. A. Bagryansky, Yu. N. Molin// Doklady Physical Chemistry, 2014, V. 455, N 1, pp 41-44 doi:10.1134/S0012501614030026), IF=0.474
2013
Reviews, articles
- С.В. Блинкова, М.М. Вьюшкова, Л.Н. Щеголева, И.В. Береговая, В.А. Багрянский, Ю.Н. Молин
Изучение структурных особенностей анион-радикала 1,3,5-трифторбензола методами оптически детектируемого ЭПР и квантовой химии
Известия АН. Серия химическая, 2013, N 11, С. 2311-2316. (Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry/ S. V. Blinkova, M. M. Vyushkova, L. N. Shchegoleva, I. V. Beregovaya, V. A. Bagryansky, Yu. N. Molin// Russian Chemical Bulletin, 2013, V. 62, N 11, pp 2311-2316. doi:10.1007/s11172-013-0335-3), IF=0.423 - L.N. Shchegoleva, I.V. Beregovaya
Manifestation of complicated structure of potential energy surfaces in spectral and chemical properties of haloarene radical ions
Fluorine notes, 2(87) 2013. http://notes.fluorine1.ru/public/2013/2_2013/retro/index.html
2012
Reviews, articles
- P.A. Potashov, V.I. Borovkov, N.P. Gritsan, V.A. Bagryansky, Y.N. Molin, L.N. Shchegoleva
Radical Cations of Branched Alkanes in Solutions: Time-Resolved Magnetic Field Effect and Quantum Chemical Studies
J. Physi. Chem. A, 2012, V. 116, N 12, 3110-3117. doi:10.1021/jp2113208, IF=2.946 - V.I. Borovkov, I.V. Beregovaya, L.N. Shchegoleva, P.A. Potashov, V.A. Bagryansky, Yu.N. Molin
Radical ions with nearly degenerate ground state: Correlation between the rate of spin-lattice relaxation and the structure of adiabatic potential energy surface
J. Chem. Phys., 2012, V. 137, N 10, 104305-104318. doi:10.1063/1.4749247, IF=3.332 - И.В. Береговая, Л.Н. Щеголева
Поверхность потенциальной энергии и константы протонного СТВ катион-радикала циклопентана
Журн. cтруктур. химии, 2012, Т. 53, № 2, 242-248. (Potential energy surface and proton HFI constants of the cyclopentane radical cation/ I.V. Beregovaya, L.N. Shchegoleva// J STRUCT CHEM+, 2012, V. 53, N 2, pp. 239-246. doi:10.1134/S0022476612020059), IF=0.586
2011
Reviews, articles
- S.V. Blinkova, L.N. Shchegoleva, I.V. Beregovaya, M.M. Vyushkova, V.A. Bagryansky, Yu.N. Molin
Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study
Appl. Magn. Reson., 2011, V. 41, N 2-4, 229-238. doi:10.1007/s00723-011-0265-x, IF=1.126 - A.V. Reshetov, G.A. Selivanova, L.V. Politanskaya, I.V. Beregovaya, L.N. Shchegoleva, N.V. Vasil’eva, I.Yu. Bagryanskaya, V.D. Shteingarts
Hydrodefluorination of N-acetylheptafluoro-2-naphthylamine by zinc in aqueous ammonia: synthetic outcomes and mechanistic considerations
ARKIVOC, 2011, (viii), 242–262.full text doi:10.3998/ark.5550190.0012.818, IF=1.95 - A.L. Buchachenko, D.A. Kuznetsov, N.N. Breslavskaya, L.N. Shchegoleva, S.E. Arkhangelsky
Calcium induced ATP synthesis: Isotope effect, magnetic parameters and mechanism
Chemical Physics Letters, 2011,.V. 505, N 4–6, pp 130–134. doi:10.1016/j.cplett.2011.02.036, IF=2.279
2009
Reviews, articles
- A.L. Buchachenko, L.N. Shchegoleva, N.N. Breslavskaya
Paramagnetic Complexes of Magnesium as mediators in enzimatic ATP synthesis: DFT calcukations of magnetic parameters.
Chem. Phys. Letters, 2009, V. 483, N 1-3, 77-80. doi:10.1016/j.cplett.2009.10.044, IF=2.168 - В.И. Боровков, И.В. Береговая, Л.Н. Щеголева, В.А. Багрянский, Ю.Н. Молин
Псевдовращение как возможная причина быстрой парамагнитной релаксации в ион-радикалах с вырожденным или квазивырожденным основным состоянием.
Доклады Академии наук (Физ. Хим.) , T. 426, No 5, 2009, C. 639-643. (Pseudorotation as a possible origin of fast paramagnetic relaxation in radical ions with a degenerate or quasi-degenerate ground state/ V. I. Borovkov, I. V. Beregovaya, L. N. Shchegoleva, V. A. Bagryanskii, Yu. N. Molin// Doklady Physical Chemistry, 2009, V. 424, N 2, pp 108-112 doi:10.1134/S0012501609060025), IF=0.564 - I.V. Beregovaya, L.N. Shchegoleva, V.I. Borovkov
Pseudorotation in Radical Cations of low-symmetric decalin molecules
J. Phys. Chem. A., 2009, V.113, N 8, 1555-1558. doi:10.1021/jp807568g, IF=2.871
2008
Reviews, articles
- М.М. Вьюшкова, В.И. Боровков, Л.Н. Щеголева, И.В. Береговая, В.А. Багрянский, Ю.Н. Молин
Необычный комплекс с переносом протона от катион-радикала к молекуле 2,2,6,6-тетраметилпиперидина
Доклады АН, 2008, Т. 420, № 4, 500-503. (Unusual proton-transfer complex between the 2,2,6,6-tetramethylpiperidine radical cation and neutral molecule/ M. M. Vyushkova, V. I. Borovkov, L. N. Shchegoleva, I. V. Beregovaya, V. A. Bagryanskii, Yu. N. Molin// Doklady Physical Chemistry, 2008, V. 420, N 2, pp 125-127 doi:10.1134/S001250160806002X), IF=0.442
2007
Reviews, articles
- П.А. Поташов, В.И. Боровков, Л.Н. Щеголева, В.А. Багрянский, Ю.Н. Молин
Регистрация катион-радикалов разветвленных алканов в облучаемых растворах методов времяразрешенного магнитного эффекта
Докл. АН, 2007, Т. 415, N 5, 642–645.. (Detection of branched alkane radical cations in solutions by the method of the time-resolved magnetic field effect/ P. A. Potashov, V. I. Borovkov, L. N. Shchegoleva, V. A. Bagryansky, Yu. N. Molin// Doklady Physical Chemistry, 2007, V. 415, N 2, pp 228-231 doi:10.1134/S0012501607080076), IF=0.414 - V.I. Borovkov, P.A. Potashov, L.N. Shchegoleva, V.A. Bagryansky, Y.N. Molin
Radical Cations of Branched Alkanes As Observed in Irradiated Solutions by the Method of Time-Resolved Magnetic Field Effect
J. Phys. Chem. A, 2007, V. 111, N 26, 5839-5844. doi:0.1021/jp071853h, IF=3.46 - S.S. Laev, L.Yu. Gurskaya, G.A. Selivanova, I.V. Beregovay, L.N. Shchegoleva, N.V. Vasil'eva, M.M. Shakirov, V.D. Shteingarts
N-Acetylation as a means to activate polyfluoroarylamines for selectyive ortho-hydrodefluorination by zinc in aqueous ammonia: a concise route to polyfluorobenzo Azaheterocycles
Eur. J. Org. Chem., 2007, N 2, 306-316. doi:10.1002/ejoc.200600684, IF=2.769
2006
Reviews, articles
- Т.А. Ваганова, П.С. Юферов, Л.И. Горюнов, Е.В. Пантелеева, Г.Е. Сальников, Л.Н. Щеголева, В.И. Маматюк, В.Д. Штейнгарц
Восстановительная активация аренов. Сообщение 20. Анионные продукты двухэлектронного восстановления толунитрилов в жидком аммиаке: природа и электронное строение
Изв. АН, Cер. Хим., 2006, Т. 55, № 6, 940-944. (Reductive activation of arenes/ T. A. Vaganova, P. S. Yuferov, L. I. Goryunov, E. V. Panteleeva, G. E. Sal'nikov, L. N. Shchegoleva, V. I. Mamatyuk, V. D. Shteingarts// Russian Chemical Bulletin, 2006, V. 55, N 6, pp 976-980 doi:10.1007/s11172-006-0365-1), IF=0.589 - M.M. Vyushkova, V.P. Vysotsky, I.V. Beregovaya, L.N. Shchegoleva, V.A. Bagryansky, Yu.N. Molin
Optically Detected ESR spectrum of radical anions of decafluorobiphenyl
Mendeleev Commun., 2006, V. 16, N 2, 151-152. doi:10.1070/MC2006v016n03ABEH002326, IF=0.709 - И.В. Береговая, В.П. Высоцкий, Л.Н. Щеголева
Мономолекулярный распад анион-радикалов изомерных хлорбензонитрилов. Квантовохимический анализ
Журн. Структ. Химии, 2006, Т. 47, № 2, 220-222. (Monomolecular decay of anion-radicals of isomeric chlorobenzonitriles. Quantum chemical analysis/ I. V. Beregovaya, V. P. Vysotskii, L. N. Shegoleva// Journal of Structural Chemistry, 2006, V. 47, N 2, pp 211-219 doi:10.1007/s10947-006-0289-5), IF=0.37
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