Vladimir B. Orel

Candidate of Sciences (Ph.D.) in Chemistry

Education and career

2010 - Graduated from the Chemical Faculty of Irkutsk State University

2010 – Laboratory assiastant-researcher of the Laboratory of Quantum Chemistry

2014 - 2016 – Junior Researcher of the Laboratory of Quantum Chemistry

2015 - Defense of a thesis for the degree of Candidate of Sciences (Ph.D.) in Chemistry. Dissertation topic: in Russian "Квантовохимическое моделирование взаимодействий кетонов с ацетиленами в суперосновной среде KOH/DMSO", in English "Quantum chemical modeling of the interactions of ketones with acetylenes in the KOH/DMSO superbasic medium"

2017 - 2019 - Senior Researcher of the Laboratory of Quantum Chemistry

2019 - present - Docent (Associate Professor) at the Department of General and Inorganic Chemistry, Chemical Faculty, ISU

2020 - present - Leading Researcher of the Laboratory of Quantum Chemical Modeling of Molecular Systems

Research Interests – study of the reaction mechanisms of organic compounds by the methods of quantum chemistry .

Author Profiles:

Recent Publications

2020

• V.B. Orel, A.A. Manzhueva / Thermodynamics and isomerism of products and intermediates of a one-pot superbase-promoted assembly of tetracyclic frontalin derivatives: A quantum chemical study // J. Mol. Struct. – 2020 – V. 1215 – P. 128290 – DOI: 10.1016/j.molstruc.2020.128290
• N.M. Vitkovskaya, V.B. Orel, V.B. Kobychev, A.S. Bobkov, D.Z. Absalyamov, B.A. Trofimov / Quantum-chemical models of KOH(KOBut)/DMSO superbasic systems and mechanisms of base-promoted acetylene reactions // Int. J. Quantum Chem. – 2020 – V.120, N. 9 – P. e26152 (1-12) - DOI: 10.1002/qua.26158
• N.M. Vitkovskaya, V.B. Orel, D.Z. Absalyamov, B.A. Trofimov / Self-Assembly of N-Phenyl-2,5-dimethylpyrrole from Acetylene and Aniline in KOH/DMSO and KOBu^t/DMSO Superbase Systems: A Quantum-Chemical Insight // J. Org. Chem. – 2020 – V.85, N.16 – P. 10617–10627 - DOI: 10.1021/acs.joc.0c01185
• I.A. Bidusenko, E.Y. Schmidt, I.A. Ushakov, V.B. Orel, D.Z. Absalyamov, N.M. Vitkovskaya, B.A. Trofimov / Head-to-Tail Dimerization of 4-Fluoroacetophenone in the KOH/DMSO Superbase Suspension and Related S_NAr Reaction // Eur. J. Org. Chem. – 2020 - V. 2020, N. 23 - P. 3480-3485 - DOI: 10.1002/ejoc.202000454

2019

• V.B. Orel, N.M. Vitkovskaya, D.Z. Absalyamov, E.Yu. Schmidt, B.A. Trofimov / Quantum chemical comparison of ethynylation and C-vinylation routes in superbase catalyzed reaction of acetylenes with imines // Mendeleev Communications – 2019 - V. 29 - P. 622–624 doi: 10.1016/j.mencom.2019.11.005

2018

• V.B. Orel, N.M. Vitkovskaya, V.B. Kobychev, and B.A. Trofimov / Transition-Metal-Free C-Vinylation of Ketones with Acetylenes: A Quantum-Chemical Rationalization of Similarities and Differences in Catalysis by Superbases MOH/DMSO and tBuOM/DMSO (M = Na, K) // J. Org. Chem. – 2018 – V.83, N.7 – P.3719-3726.
• N.M. Vitkovskaya, V.B. Orel, V.B. Kobychev, E.Yu. Schmidt, and B.A. Trofimov / Two classes of heterocycles – 6,8-dioxabicyclo[3.2.1]octanes and cyclopentenols from the same reagents: a quantum-chemical comparison of mechanism // Int. J. Quantum Chem. – 2018 – e25689 (1-10).

2017

• N.M. Vitkovskaya, V.B. Kobychev, A.S. Bobkov, V.B. Orel, E.Y. Schmidt, B.A. Trofimov / Nucleophilic Addition of Ketones To Acetylenes and Allenes: A Quantum-Chemical Insight // J. Org. Chem. — 2017. — V. 82, N. 23. — P. 12467–12476.
• В.Б. Кобычев, В.Б. Орел, Д.В. Занков, Н.М. Витковская, Б.А. Трофимов / Квантово-химическое моделирование катализируемых супероснованием реакций ацетофенона и метилмезитилкетона с ацетиленом // Изв. АН, Сер. хим. — 2017. — N. 12. — P. 2227–2233.
• N. M. Vitkovskaya, V. B. Kobychev, A. D. Skitnevskaya, V. B. Orel, A. S. Bobkov, A. A. Zubarev, and B. A. Trofimov / Synthesis of divinyl sulphide via addition of hydrogen sulfide anion to acetylene in alkaline metal hydroxide/DMSO superbasic system: A quantum-chemical insight // Tetrahedron Lett. – 2017. – Vol. 58, No 1 – P. 92–96.
• N. M. Vitkovskaya, V. B. Orel, V. B. Kobychev, A. S. Bobkov, E. Yu. Larionova, and B. A. Trofimov / Exploring acetylene chemistry in superbasic media: a theoretical study of water impact on vinylation and ethynylation reactions with acetylene in KOH/DMSO and NaOH/DMSO systems // J. Phys. Org. Chem. – 2017. –No 30. – P. 3669 (1-11) doi: 10.1002/poc.3669.

2016

• Vitkovskaya N.M., Larionova E.Yu., Kobychev V.B., Orel V.B., Skitnevkaya A.D., Trofimov B.A. / Modeling of acetylene reactions in the KOH/DMSO superbasic medium // ХХ Менделеевский съезд по общей и прикладной химии: тезисы докладов в пяти томах. Уральское отделение Российской академии наук. — 2016. — С. 130.

2015

• В.Б. Кобычев, В.Б. Орел, Н.М. Витковская, Е.Ю. Шмидт, Б.А. Трофимов / Квантовохимическое исследование стереоселективности нуклеофильного присоединения 2-метилциклогексанона к фенилацетилену // Докл. АН. – 2015 – Т. 461, № 6. – С. 669–672.
• В.Б. Кобычев, Н.М. Витковская, В.Б. Орел, Е.Ю. Шмидт, Б.А. Трофимов / Квантово-химическое реакций алкил- и арилкетонов с фенилацетиленом под действием супероснования KOH—DMSO // Изв. АН. Сер. хим. – 2015. – № 3 – С. 518–524.

2014

• В. Б. Кобычев, В. Б. Орел, Н. М. Витковская, Б.А. Трофимов / Теоретическое исследование реакций ацетона с ацетиленом и фениацетиленом в суперосновной системе KOH/DMSO // Докл. АН. – 2014. – Т.457, №2. – С. 179–181.