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  1. No Access

    Article

    Circumambulatory Migrations of Arylazo Groups in Pentakis(methoxycarbonyl)- and Pentamethylcyclopentadienes

    According to CAM–B3LYP/6-311++G(d,p) quantum chemical calculations, intramolecular migra­tion of the arylazo group in pentamethyl 5-(aryldiazenyl)cyclopentadiene-1,2,3,4,5-pentacarboxylates follows a ...

    G. A. Dushenko, I. E. Mikhailov, V. I. Minkin in Russian Journal of Organic Chemistry (2023)

  2. No Access

    Article

    Quantum-Chemical Study of the Structure of Amidinyltetramethoxycarbonylcyclopentadiene and Its Hg(II) and Tl(I) Complexes

    It has been shown by DFT CAM-B3LYP/6-311++G(d,p) and CAM-B3LYP/6-311++G(d,p)/SDD calculations that the polydentate amidinyltetramethoxycarbonylcyclopentadienyl ligand and its Hg(II) and Tl(I) complexes are mos...

    G. A. Dushenko, I. E. Mikhailov, R. M. Minyaev… in Russian Journal of General Chemistry (2023)

  3. No Access

    Article

    Luminescence Spectral Properties of 2-[2-Methyl(Acetyl, Tosyl)oxyphenyl]-5-(3,4,5-trimethoxy-phenyl)-1,3,4-oxadiazoles

    Cyclodehydration of N′-aroylbenzohydrazides in thionyl chloride gave 2-(2-hydroxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole and its 2-(2-methoxyphenyl) analog. Acetylation and tosylation of 2-(2-hydroxyp...

    I. E. Mikhailov, N. I. Vikrishchuk, L. D. Popov… in Russian Journal of Organic Chemistry (2022)

  4. No Access

    Article

    Structure elucidation of pentakis(methoxycarbonyl)- and amidinyltetrakis(methoxycarbonyl)cyclopentadienyl complexes of gold(I) by quantum chemistry methods

    Density functional CAM-B3LYP/6-311++G(d,p)/SDD quantum chemical calculations of a gold(I) complex with the pentakis(methoxycarbonyl)cyclopentadienyl ligand Ph3PAu[C5(CO2Me)5] and gold(I) complexes with polydentat...

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova… in Russian Chemical Bulletin (2022)

  5. No Access

    Article

    Pentacarboxycyclopentadienes in Organic Synthesis

    The review summarizes the literature data on the synthesis, structure, reactivity, and rearrangements of pentacarboxycyclopentadienes and their derivatives. Their potential for creating new chiral organic cata...

    I. E. Mikhailov, G. A. Dushenko, V. I. Minkin in Russian Journal of Organic Chemistry (2021)

  6. No Access

    Article

    Quantum chemical study of intramolecular rearrangements in 3-allyl-3-methyl-1,2-diphenylcyclopropene

    3-Allyl-3-methyl-1,2-diphenylcyclopropene (1) and 3-allyl-2-methyl-1,3-diphenylcyclopropene (2) were shown by the DFT B3LYP/6-311++G(d,p) method to interconvert with the energy barriers ΔE≠ZPE(1→2) = 35.6 kcal mo...

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova… in Russian Chemical Bulletin (2021)

  7. No Access

    Article

    2,5-Diaryl-1,3,4-oxadiazoles: synthesis, spectral-luminescent properties, and complexation with beryllium(ii)

    Cyclization of aroylbenzohydrazides in SOCl2 was used to obtain 2,5-diaryl-1,3,4-oxadiazoles, and to study their spectral-luminescent properties. Oxadiazoles with phenyl or 2-methoxyphenyl substituents at positio...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Chemical Bulletin (2020)

  8. No Access

    Article

    Synthesis and Spectral-Luminescent Properties of 2-Aryl-5-butyl-1,3,4-oxadiazoles

    2-Aryl-5-butyl-1,3,4-oxadiazoles have been obtained in 59–85% yield via refluxing of equimolar amounts of a benzoic acid hydrazide with trimethyl orthovalerate in o-xylene. The effects of electron-...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Journal of General Chemistry (2020)

  9. No Access

    Article

    Circumambulatory Rearrangements of 5-Halo-1,2,3,4,5-pentaphenylcyclopentadienes

    DFT quantum chemical calculations at the CAM-B3LYP/Def2TZVP level of theory showed that intramolecular migrations of halogens in 5-halo-1,2,3,4,5-pentaphenylcyclopentadienes (C5Ph5Hlg, Hlg = F, Cl, Br, I) involve...

    G. A. Dushenko, I. E. Mikhailov, V. I. Minkin in Russian Journal of Organic Chemistry (2020)

  10. No Access

    Article

    3,3-Sigmatropic Shifts of Allyl Group Along Cyclopentadiene Ring Perimeter

    Reversible non-degenerate 3,3-sigmatropic shifts of the allyl group along the perimeter of the five-membered ring occurring with energy barriers ΔG°≠ = 28.5–30.2 kcal/mol (o-dichlorobenzene-d4) have been detected...

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova… in Russian Journal of General Chemistry (2020)

  11. No Access

    Article

    Synthesis and spectral luminescence properties of 2-aryl-5-methyl-1,3,4-oxadiazoles and zinc(ii) 2-(2-hydroxyphenyl)-5-methyl-1,3,4-oxadiazole complex

    2-Aryl-5-methyl-1,3,4-oxadiazoles were synthesized by reflux of equimolar amounts of acyl hydrazides with triethyl orthoacetate in o-xylene. The obtained oxadiazoles, except for 2-(2-hydroxyphenyl)-5-methyl-1,3,4...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Chemical Bulletin (2020)

  12. No Access

    Article

    Reversible Rearrangements of 2,4,6-Trinitrophehyl Group in an Amidine System

    Tautomeric 1,3-N, N′-migrations of 2,4,6-trinitrophenyl group in the derivatives of N, N′-diarylbenzamidine and N, N′-diarylformamidine have been studied by quantum-chemical simulations using the B3LYP/6-311++G(d...

    G. A. Dushenko, I. E. Mikhailov, V. I. Minkin in Russian Journal of General Chemistry (2020)

  13. No Access

    Article

    Synthesis and Spectral-Luminescent Properties of 2,5-Diaryl-1,3,4-oxadiazoles and Their Chelate Complexes with Cadmium(II)

    Cyclization of N′-(arylcarbonyl)benzohydrazides in SOCl2 has afforded 2-aryl-5-(4-octyloxyphenyl)-1H-1,3,4-oxadiazoles; the spectral-luminescent properties of the properties have been studied. The obtained cadmiu...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Journal of General Chemistry (2019)

  14. No Access

    Article

    Luminescence Properties of 2-[2-Allyl(arenesulfonyl)oxyphenyl]- 5-(2,6-difluorophenyl)-1,3,4-oxadiazoles

    The alkylation of 2-(2,6-difluorophenyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole with allyl bromide gave 2-(2-allyloxyphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole, and sulfonylation of the same substrate with ...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Journal of Organic Chemistry (2018)

  15. No Access

    Article

    Spectral-Luminescent Properties of 2-(2,6-Difluorophenyl)-5-phenyl-[2-acetyl(benzoyl)oxyphenyl]-1,3,4-oxadiazoles

    2-(2,6-Difluorophenyl)-5-phenyl(2-hydroxyphenyl)-1,3,4-oxadiazoles were synthesized by cyclization of N-(2,6-difluorobenzoil) derivatives of benzohydazide or salicylhydrazide in thionyl chloride. When acylating 2...

    I. E. Mikhailov, Yu. M. Artuyshkina, G. A. Dushenko… in Russian Journal of General Chemistry (2018)

  16. No Access

    Article

    Structure and Fluxional Behavior of Phenylmercury Derivatives of N,N'-Diarylform(benz)amidines

    Activation barriers for fast 1,3-N,N' migrations of phenylmercury groups in the corresponding derivatives of N,N'-di(p-tolyl)form(benz)amidines have been calculated by density functional theory B3LYP/Gen, 6-311++

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev… in Doklady Chemistry (2018)

  17. No Access

    Article

    Structure and Rearrangements of 7-(Heptaphenylcycloheptatrienyl)isochalcogencyanates

    According to DFT B3LYP/6-31G(d,p) calculations, the intramolecular migration of NCX groups (X = O, S, Se, Te) in 7-(heptaphenylcycloheptatrienyl)isochalcogencyanates in the gas phase proceeds via the dissociat...

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova… in Russian Journal of Organic Chemistry (2018)

  18. No Access

    Article

    Reversible Migrations of Nitro Group in a Methyltetramethoxycarbonylcyclopentadiene System

    Quantum chemical calculations by the density functional theory method at the B3LYP/6-311++G** level have shown that 5-nitro-5-methyl-1,2,3,4-tetramethoxycarbonylcyclopentadiene (1) and 5-nitro-2-methyl- 1,3,4,...

    G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev… in Doklady Chemistry (2018)

  19. Article

    Spectral Luminescent Properties of 3-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]acrylic Acid and Its Complex with Zn(II)

    Zinc complex of (E)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acrylic acid has been prepared; its structure and composition have been elucidated by means of IR and 1Н as well as 13С NMR spectroscopy. Spectral l...

    I. E. Mikhailov, L. D. Popov, G. A. Dushenko… in Russian Journal of General Chemistry (2018)

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    Article

    Spectral-Luminescent Properties of 2-Aryl-1,3,4-oxadiazoles

    Refluxing equimolar amounts of acylhydrazides with triethyl orthoformate in o-xylene yielded 2-aryl-1,3,4-oxadiazoles luminescing with high quantum yields in polar and nonpolar solvents (λm fl ax 299–349 nm, φ...

    I. E. Mikhailov, Yu. M. Artyushkina, G. A. Dushenko… in Russian Journal of General Chemistry (2018)

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