Научная деятельность
Статьи (101) Подробнее
1 |
Andreev R.V.
, Beregovaya I.V.
, Shchegoleva L.N.
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. P.109976. DOI: 10.1016/j.jfluchem.2022.109976 WOS РИНЦ |
2 |
Borovkov V.I.
, Potashov P.A.
, Beregovaya I.V.
, Shchegoleva L.N.
, Molin Y.N.
Primary Radical Cations in Irradiated Poly(isobutylene) Journal of Physical Chemistry B. 2020. V.124. N32. P.7059-7066. DOI: 10.1021/acs.jpcb.0c03280 WOS Scopus РИНЦ |
3 |
Andreev R.V.
, Beregovaya I.V.
, Shchegoleva L.N.
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. UNSP 109513 . DOI: 10.1016/j.jfluchem.2020.109513 WOS Scopus РИНЦ |
4 |
Beregovaya I.V.
, Shchegoleva L.N.
, Ovchinnikov D.A.
, Blinkova S.V.
, Borovkov V.I.
, Andreev R.V.
, Bagryansky V.A.
, Molin Y.N.
Dimer Radical Anions of Polyfluoroarenes. Two More to a Small Family Journal of Physical Chemistry A. 2019. V.123. N51. P.10968-10975. DOI: 10.1021/acs.jpca.9b09906 WOS Scopus РИНЦ |
5 |
Beregovaya I.V.
, Shchegoleva L.N.
, Borovkov V.I.
, Karpov V.M.
Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle Journal of Structural Chemistry. 2019. V.60. N3. P.373-376. DOI: 10.1134/S0022476619030041 WOS Scopus РИНЦ |
6 |
Genaev A.M.
, Shchegoleva L.N.
, Salnikov G.E.
, Shernyukov A.V.
, Shundrin L.A.
, Shundrina I.K.
, Zhu Z.
, Koltunov K.Y.
Acid-Catalyzed Versus Thermally Induced C1-C1 ' Bond Cleavage in 1,1 '-Bi-2-naphthol: An Experimental and Theoretical Study Journal of Organic Chemistry. 2019. V.84. N11. P.7238-7243. DOI: 10.1021/acs.joc.9b00915 WOS Scopus РИНЦ |
7 |
Beregovaya I.V.
, Andreev R.V.
, Shchegoleva L.N.
Pseudorotation of the Benzene Radical Cation Associated with HCN or CH3CN Molecules Journal of Structural Chemistry. 2019. V.60. N10. P.1578-1583. DOI: 10.1134/S0022476619100020 WOS Scopus РИНЦ |
8 |
Borovkov V.I.
, Shchegoleva L.N.
Magnetic Resonance Characteristics of Negative Polarons in Neat Poly(3-hexyl-thiophene) Journal of Physical Chemistry C. 2019. V.123. N46. P.28058-28065. DOI: 10.1021/acs.jpcc.9b08331 WOS Scopus РИНЦ |
9 |
Береговая И.В.
, Андреев Р.В.
, Щеголева Л.Н.
Псевдовращение катион-радикала бензола, ассоциированного с молекулой HCN или CH3CN Журнал структурной химии (J STRUCT CHEM+). 2019. Т.60. №10. С.1643-1648. DOI: 10.26902/JSC_id47027 РИНЦ |
10 |
Borovkov V.I.
, Bagryansky V.A.
, Letyagin G.A.
, Beregovaya I.V.
, Shchegoleva L.N.
, Molin Y.N.
Manifestation of g-tensor anisotropy in the quantum beats of spin-correlated radical ion pairs Chemical Physics Letters. 2018. V.712. P.208-213. DOI: 10.1016/j.cplett.2018.10.004 WOS Scopus РИНЦ |
11 |
Skolyapova A.D.
, Selivanova G.A.
, Tretyakov E.V.
, Bogdanova T.F.
, Shchegoleva L.N.
, Bagryanskaya I.Y.
, Gurskaya L.Y.
, Shteingarts V.D.
Interaction of polyfluorinated 2-chloroquinolines with ammonia Tetrahedron. 2017. V.73. N9. P.1219-1229. DOI: 10.1016/j.tet.2017.01.026 WOS Scopus РИНЦ |
12 |
Shchegoleva L.N.
, Beregovaya I.V.
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. 2016. V.116. N3. P.161-173. DOI: 10.1002/qua.24999 WOS Scopus |
13 |
Mashkantsev D.E.
, Beregovaya I.V.
, Shchegoleva L.N.
Position-dependent fragmentation mechanism for radical anions of fluorinated benzoates Journal of Fluorine Chemistry. 2016. V.188. P.171-176. DOI: 10.1016/j.jfluchem.2016.07.002 WOS Scopus РИНЦ |
14 |
Taletskiy K.S.
, Borovkov V.I.
, Schegoleva L.N.
, Beregovaya I.V.
, Taratayko A.I.
, Molin Y.N.
Radical Cationic Pathway for the Decay of Ionized Glyme Molecules in Liquid Solution Journal of Physical Chemistry B. 2015. V.119. N45. P.14472-14478. DOI: 10.1021/acs.jpcb.5b06086 WOS Scopus |
15 |
Borovkov V.I.
, Beregovaya I.V.
, Shchegoleva L.N.
, Blinkova S.V.
, Ovchinnikov D.A.
, Gurskaya L.Y.
, Shteingarts V.D.
, Bagryansky V.A.
, Molin Y.N.
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 Journal of Physical Chemistry A. 2015. V.119. N31. P.8443-8451. DOI: 10.1021/acs.jpca.5b02617 WOS Scopus |
16 |
Peshkov R.Y.
, Panteleeva E.V.
, Shchegoleva L.N.
, Bagryanskaya I.Y.
, Rybalova T.V.
, Vasilieva N.V.
, Shteingarts V.D.
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. 2015. V.2015. N20. P.4524-4531. DOI: 10.1002/ejoc.201500295 WOS Scopus РИНЦ |
17 |
Borovkov V.I.
, Beregovaya I.V.
, Shchegoleva L.N.
, Blinkova S.V.
, Letyagin G.A.
, Bagryansky V.A.
, Molin Y.N.
Time-resolved magnetic field effect as a method of studying radical pairs with rapid evolution of spin state Doklady Physical Chemistry. 2015. V.462. P.103-106. DOI: 10.1134/S0012501615050024 WOS Scopus РИНЦ |
18 |
Beregovaya I.V.
, Shchegoleva L.N.
Pseudorotation as a mechanism for intramolecular electron density transfer. Fragmentation of the octafluoronaphthalene radical anion Journal of Fluorine Chemistry. 2014. V.163. P.1-6. DOI: 10.1016/j.jfluchem.2014.03.010 WOS Scopus РИНЦ |
19 |
Blinkova S.V.
, Vyushkova M.M.
, Shchegoleva L.N.
, Beregovaya I.V.
, Bagryansky V.A.
, Molin Y.N.
Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry Russian Chemical Bulletin. 2013. V.62. N11. P.2311-2316. DOI: 10.1007/s11172-013-0335-3 WOS Scopus РИНЦ |
20 |
Блинкова С.В.
, Барлукова М.М.
, Щеголева Л.Н.
, Береговая И.В.
, Багрянский В.А.
, Молин Ю.Н.
Изучение структурных особенностей анион-радикала 1,3,5-трифторбензола методами оптически детектируемого эпр и квантовой химии Известия Академии наук. Серия химическая.(RUSS CHEM B+). 2013. №11. С.2311. РИНЦ |
21 |
Potashov P.A.
, Borovkov V.T.
, Shchegoleva L.N.
, Gritsan N.P.
, Bagryansky V.A.
, Molin Y.N.
Radical Cations of Branched Alkanes in Solutions: Time-Resolved Magnetic Field Effect and Quantum Chemical Studies Journal of Physical Chemistry A. 2012. V.116. N12. P.3110-3117. DOI: 10.1021/jp2113208 WOS Scopus РИНЦ |
22 |
Beregovaya I.V.
, Shchegoleva L.N.
Potential energy surface and proton HFI constants of the cyclopentane radical cation Journal of Structural Chemistry. 2012. V.53. N2. P.239-246. DOI: 10.1134/S0022476612020059 WOS Scopus РИНЦ |
23 |
Borovkov V.I.
, Beregovaya I.V.
, Shchegoleva L.N.
, Potashov P.A.
, Bagryansky V.A.
, Molin Y.N.
Radical ions with nearly degenerate ground state: Correlation between the rate of spin-lattice relaxation and the structure of adiabatic potential energy surface Journal of Chemical Physics. 2012. V.137. N10. 104305 . DOI: 10.1063/1.4749247 WOS Scopus РИНЦ |
24 |
Береговая И.В.
, Щеголева Л.Н.
ПОВЕРХНОСТЬ ПОТЕНЦИАЛЬНОЙ ЭНЕРГИИ И КОНСТАНТЫ ПРОТОННОГО СТВ КАТИОН-РАДИКАЛА ЦИКЛОПЕНТАНА Журнал структурной химии (J STRUCT CHEM+). 2012. Т.2012. №2. С.242-248. РИНЦ |
25 |
Buchachenko A.L.
, Kuznetsov D.A.
, Breslavskaya N.N.
, Shchegoleva L.N.
, Arkhangelsky S.E.
Calcium induced ATP synthesis: Isotope effect, magnetic parameters and mechanism Chemical Physics Letters. 2011. V.505. N4-6. P.130-134. DOI: 10.1016/j.cplett.2011.02.036 WOS Scopus РИНЦ |
26 |
Reshetov A.V.
, Selivanova G.A.
, Politanskaya L.V.
, Beregovaya I.V.
, Shchegoleva L.N.
, Vasil'eva N.V.
, Bagryanskaya I.Y.
, Shteingarts V.D.
Hydrodefluorination of N-acetylheptafluoro-2-naphthylamine by zinc in aqueous ammonia: synthetic outcomes and mechanistic considerations ARKIVOC. 2011. P.242-262. DOI: 10.3998/ark.5550190.0012.818 WOS Scopus РИНЦ |
27 |
Blinkova S.V.
, Shchegoleva L.N.
, Beregovaya I.V.
, Vyushkova M.M.
, Bagryansky V.A.
, Molin Y.N.
Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study Applied Magnetic Resonance. 2011. V.41. N2-4. P.229-238. DOI: 10.1007/s00723-011-0265-x WOS Scopus РИНЦ |
28 |
Beregovaya I.V.
, Shchegoleva L.N.
, Borovkov V.I.
Pseudorotation in Radical Cations of Low-Symmetric Decalin Molecules Journal of Physical Chemistry A. 2009. V.113. N8. P.1555-1558. DOI: 10.1021/jp807568g WOS Scopus РИНЦ |
29 |
Borovkov V.I.
, Beregovaya I.V.
, Shchegoleva L.N.
, Bagryanskii V.A.
, Molin Y.N.
Pseudorotation as a possible origin of fast paramagnetic relaxation in radical ions with a degenerate or quasi-degenerate ground state Doklady Physical Chemistry. 2009. V.426. P.108-112. DOI: 10.1134/S0012501609060025 WOS Scopus РИНЦ |
30 |
Buchachenko A.L.
, Shchegoleva L.N.
, Breslavskaya N.N.
Paramagnetic complexes of magnesium as mediators in enzymatic ATP synthesis: DFT calculations of magnetic parameters Chemical Physics Letters. 2009. V.483. N1-3. P.77-80. DOI: 10.1016/j.cplett.2009.10.044 WOS Scopus РИНЦ |
31 |
Vyushkova M.M.
, Borovkov V.I.
, Shchegoleva L.N.
, Beregovaya I.V.
, Bagryanskii V.A.
, Molin Y.N.
Unusual proton-transfer complex between the 2,2,6,6-tetramethylpiperidine radical cation and neutral molecule Doklady Physical Chemistry. 2008. V.420. P.125-127. DOI: 10.1134/S001250160806002X WOS Scopus РИНЦ |
32 |
Potashov P.A.
, Borovkov V.I.
, Shchegoleva L.N.
, Bagryansky V.A.
, Molin Y.N.
Detection of branched alkane radical cations in solutions by the method of the time-resolved magnetic field effect Doklady Physical Chemistry. 2007. V.415. P.228-231. DOI: 10.1134/S0012501607080076 WOS Scopus РИНЦ |
33 |
Borovkov V.I.
, Potashov P.A.
, Shchegoleva L.N.
, Bagryansky V.A.
, Molin Y.N.
Radical cations of branched alkanes as observed in irradiated solutions by the method of time-resolved magnetic field effect Journal of Physical Chemistry A. 2007. V.111. N26. P.5839-5844. DOI: 10.1021/jp071853h WOS Scopus РИНЦ |
34 |
Laev S.S.
, Gurskaya L.Y.
, Selivanova G.A.
, Beregovaya I.V.
, Shchegoleva L.N.
, Vasil'eva N.V.
, Shakirov M.M.
, Shteingarts V.D.
N-acetylation as a means to activate polyfluoroarylamines for selective ortho-hydrodefluorination by zinc in aqueous ammonia: A concise route to polyfluorobenzo azaheterocycles European Journal of Organic Chemistry. 2007. V.2007. N2. P.306-316. DOI: 10.1002/ejoc.200600684 WOS Scopus РИНЦ |
35 |
Vaganova T.A.
, Yuferov P.S.
, Goryunov L.L.
, Panteleeva E.V.
, Sal'nikov G.E.
, Shchegoleva L.N.
, Mamatyuk V.L.
, Shteingarts V.D.
Reductive activation of arenes 20. Anionic products of two-electron reduction of tolunitriles in liquid ammonia: the nature and electronic structure Russian Chemical Bulletin. 2006. V.55. N6. P.976-980. DOI: 10.1007/s11172-006-0365-1 WOS Scopus РИНЦ |
36 |
Vyushkova M.M.
, Vysotsky V.P.
, Beregovaya I.V.
, Shchegoleva L.N.
, Bagryanskya V.A.
, Molina Y.N.
Optically detected ESR spectrum of decafluorobiphenyl radical anions Mendeleev Communications. 2006. V.16. N3. P.151-152. DOI: 10.1070/MC2006v016n03ABEH002326 WOS Scopus РИНЦ |
37 |
Beregovaya I.V.
, Vysotskii V.P.
, Shegoleva L.N.
Monomolecular decay of anion-radicals of isomeric chlorobenzonitriles. Quantum chemical analysis Journal of Structural Chemistry. 2006. V.47. N2. P.211-219. DOI: 10.1007/s10947-006-0289-5 WOS Scopus РИНЦ |
38 |
Береговая И.В.
, Высоцкий В.П.
, Щеголева Л.Н.
Мономолекулярный распад анион-радикалов изомерных хлорбензонитрилов. квантовохимический анализ Журнал структурной химии (J STRUCT CHEM+). 2006. Т.47. №2. С.220-227. РИНЦ |
39 |
V'yushkova M.
, Beregovaya I.
, Vysotskii V.
, Shchegoleva L.
, Bagryanskii V.
, Molin Y.
Structural nonrigidity of the 1,2,3-trifluorobenzene radical anion as probed by quantum-chemical methods and OD ESR Doklady Physical Chemistry. 2005. V.403. P.142-145. DOI: 10.1007/s10634-005-0045-0 WOS Scopus РИНЦ |
40 |
Барлукова М.М.
, Береговая И.В.
, Высоцкий В.П.
, Щеголева Л.Н.
, Багрянский В.А.
, Молин Ю.Н.
Структурная нежесткость анион-радикала 1,2,3-трифторбензола. исследование методами квантовой химии и ОД ЭПР-спектроскопии Доклады академии наук. 2005. Т.403. №4. С.494-497. РИНЦ |
41 |
Panteleeva E.
, Shchegoleva L.
, Vysotsky V.
, Pokrovsky L.
, Shteingarts V.
Reductive activation of arenes, XVIII. Cyanophenylation of aromatic nitrites by terephthalonitrile dianion: Is the charge-transfer complex a key intermediate? European Journal of Organic Chemistry. 2005. V.2005. N12. P.2558-2565. DOI: 10.1002/ejoc.200400851 WOS Scopus РИНЦ |
42 |
Barlukova M.
, Beregovaya I.
, Vysotsky V.
, Shchegoleva L.
, Bagryansky V.
, Molin Y.
Intramolecular dynamics of 1,2,3-trifluorobenzene radical anions as studied by OD ESR and quantum-chemical methods Journal of Physical Chemistry A. 2005. V.109. N19. P.4404-4409. DOI: 10.1021/jp050683a WOS Scopus РИНЦ |
43 |
Izmaylov A.
, Shchegoleva L.
, Scuseria G.
, Zaitsevskii A.
Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory Physical Chemistry Chemical Physics. 2005. V.7. N23. P.3933-3937. DOI: 10.1039/b509805j WOS Scopus РИНЦ |
44 |
Vysotsky V.
, Salnikov G.
, Shchegoleva L.
Potential energy surfaces of fluorinated benzene radical cations International Journal of Quantum Chemistry. 2004. V.100. N4. P.469-476. DOI: 10.1002/qua.20013 WOS Scopus |
45 |
Vysotskii V.
, Shchegoleva L.
Adiabatic potential energy surface of the 1,2,3-trifluorobenzene cation-radical Journal of Structural Chemistry. 2003. V.44. N6. P.946-950. DOI: 10.1023/B:JORY.0000034799.54040.2f WOS Scopus |
46 |
Shundrin L.
, Starichenko V.
, Shchegoleva L.
, Shteingartz V.
Solvation dependences of isotropic hyperfine interaction constants and out-of-plane distortions of ortho-substituted nitrobenzene radical anions Journal of Structural Chemistry. 2003. V.44. N4. P.592-604. DOI: 10.1023/B:JORY.0000017935.56207.6b WOS Scopus РИНЦ |
47 |
Шундрин Л.А.
, Стариченко В.Ф.
, Щеголева Л.Н.
, Штейнгарц В.Д.
Сольватационные зависимости констант изотропного сверхтонкого взаимодействия и внеплоскостные искажения анион-радикалов орто-замещенных нитробензолов Журнал структурной химии (J STRUCT CHEM+). 2003. Т.44. №4. С.647-660. РИНЦ |
48 |
Высоцкий В.П.
, Щеголева Л.Н.
Адиабатическая поверхность потенциальной энергии катион-радикала 1,2,3-трифторбензола Журнал структурной химии (J STRUCT CHEM+). 2003. Т.44. №6. С.1026-1030. РИНЦ |
49 |
Karpov V.M.
, Mezhenkova T.V.
, Platonov V.E.
, Sinyakov V.R.
, Shchegoleva L.N.
Pentafluorophenylation of perfluorinated benzocyclobutene, indan, and tetralin by reaction with pentafluorobenzene in SbF5 Russian Journal of Organic Chemistry. 2002. V.38. N8. P.1158-1165. DOI: 10.1023/A:1020901526459 WOS Scopus РИНЦ |
50 |
Shchegoleva L.
, Karpov V.
, Platonov V.
MNDO study of the (anti)aromaticity of fluorine-containing cyclopentadienyl, indenyl, and cyclopenta[b]naphthyl cations Russian Journal of Organic Chemistry. 2002. V.38. N7. P.995-1000. DOI: 10.1023/A:1020849528372 WOS Scopus РИНЦ |