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  1. No Access

    Article

    Nonclassical tetracoordinate carbon in exohedral complexes of hexaprismanes X12H12Cn (X = C, Si, Ge; n = 1–3)

    The DFT B3LYP/6-311+G(df,p) and wB97XD/6-311+G(df,p) calculations predict the stability of exohedral complexes of hexaprismanes X12H12Cn (X = C, Si, Ge; n = 1–3) containing nonclassical carbon atoms located at th...

    T. N. Gribanova, R. M. Minyaev, V. I. Minkin in Russian Chemical Bulletin (2023)

  2. No Access

    Article

    Synthesis and study of new photochromic halogen-substituted spiropyrans of the indoline series

    New indoline spiropyrans containing chlorine and bromine atoms in position 5 of the indoline moiety of the molecule as a substituent were synthesized and studied. The structures of the synthesized compounds we...

    A. D. Pugachev, I. A. Rostovtseva, N. I. Makarova… in Russian Chemical Bulletin (2023)

  3. 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)

  4. No Access

    Article

    Reaction of 4,6-Di-tert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione with Secondary Amines

    The reaction of 4,6-di-tert-butyl-3-nitrocyclohexa-3,5-diene-1,2-dione with secondary amines (piperidine, morpholine, 1-methylpiperazine) in isopropanol involves Michael addition and ANRORC and forms a mixture of...

    E. P. Ivakhnenko, V. I. Malai, O. P. Demidov… in Russian Journal of Organic Chemistry (2023)

  5. No Access

    Article

    Condensation of formyl-substituted indoline spiropyrans with 3H-indolium salts: specific features

    A condensation reaction between formyl-containing spiropyrans and iodides of 1,2,3,3-tetramethyl-3H-indolium derivatives was studied. The reaction results in a mixture of products with a strong predominance of on...

    A. S. Kozlenko, A. D. Pugachev, I. V. Ozhogin, G. S. Borodkin… in Russian Chemical Bulletin (2023)

  6. No Access

    Article

    Heteropentacyclic quinoxalino[2,3-b]phenoxazines: the synthesis, optoelectronic, and electrochemical properties

    A series of new derivatives comprising heteropentacyclic 12H-quinoxalino[2,3-b]-phenoxazine (QOPO) system and functionalized with arylamide anchoring groups was synthesized. Their photostability as well as the sp...

    V. I. Minkin, P. A. Knyazev, N. I. Omelichkin, N. I. Makarova… in Russian Chemical Bulletin (2023)

  7. No Access

    Article

    Antioxidant Properties and Effects of Aporphine Alkaloids and Their Phenanthrene Seco-Isomers on Acetylcholinesterase Activity

    Model phenanthrene seco-alkaloids (seco-glaucine and seco-boldine) obtained in the medium of subcritical water (SBW) from plant aporphine alkaloids have been studied for the first time as antioxidants and inhi...

    S. S. Khizrieva, S. N. Borisenko… in Russian Journal of Bioorganic Chemistry (2022)

  8. 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)

  9. 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)

  10. No Access

    Article

    Synthesis and study of interconversions of new indoline spiropyrans based on 4-hydroxy-3,5-diformylbenzoic acid

    The synthesis of new indoline spiropyran by the cyclocondensation in methanol revealed that the free aldehyde group of the target spiropyran is easily converted into the dimethyl acetal moiety without the addi...

    I. V. Ozhogin, A. D. Pugachev, V. V. Tkachev, A. S. Kozlenko… in Russian Chemical Bulletin (2022)

  11. No Access

    Article

    Computational search for radical-bearing stilbene derivatives with switchable magnetic properties

    Stilbene derivatives bearing radical groups in meta-positions of phenyl rings were studied in terms of the density functional theory by the M05-2X/6-311++G(d,p) and (B3LYP+D3BJ)/6-311++G(d,p) methods. The introdu...

    A. G. Starikov, M. G. Chegerev, A. A. Starikova, V. I. Minkin in Russian Chemical Bulletin (2022)

  12. No Access

    Article

    Cobalt(ɪɪ) and nickel(ɪɪ) bis(chelate) complexes with (N, O, O)-tridentate azomethine ligands: a quantum chemical study of stereoisomers with hexa-, penta-, and tetracoordinate central atoms

    The molecular structures and relative energies of stereoisomers of the Coɪɪ and Niɪɪ bis(chelate) complexes composed of hexa-, penta-, or tetracoordinate metal atoms and (N, O, O)-tridentate azomethine ligands an...

    N. N. Kharabayev, A. G. Starikov, V. I. Minkin in Russian Chemical Bulletin (2022)

  13. No Access

    Article

    Electronic isomerism (electromerism) of 6,8-di-tert-butyl-3H-phenoxazin-3-one oxime radical

    A radical stable at room temperature was prepared by the oxidation of a toluene solution of 6,8-di-(tert-butyl)-3H-phenoxazin-3-one oxime with lead oxide PbO2. The DFT/B3LYP/6-311++G**, ab initio MP2/def2-svp, an...

    V. I. Minkin, E. P. Ivakhnenko, P. A. Knyazev, A. G. Starikov… in Russian Chemical Bulletin (2022)

  14. No Access

    Article

    Heterospin iron complexes with dioxolenes functionalized with stable radicals: quantum chemical study

    A computational modeling (DFT UTPSSh/6-311++G(d,p)) of the electronic structures, energy characteristics, and magnetic properties of mononuclear iron complexes with tris-(2-pyridylmethyl)amine bases and dioxol...

    V. I. Minkin, A. G. Starikov, M. G. Chegerev, A. A. Starikova in Russian Chemical Bulletin (2021)

  15. No Access

    Article

    Si3S-Bicyclo[1.1.0]butane vs. Si3S-cyclobutene: an isomeric interplay*

    (Thiatrisila)bicyclo[1.1.0]butane 1 quantitatively transformed under either photochemical or thermal conditions into the isomeric (thiatrisila)cyclobutene 2, which was isolated and fully characterized.

    V. Ya. Lee, S. Miyazaki, O. A. Gapurenko, R. M. Minyaev… in Russian Chemical Bulletin (2021)

  16. No Access

    Article

    Structures of spiropyrans exhibiting photochromic properties in the solid state

    Solid-state photochromic indoline spiropyrans bearing a formyl group at the 6′ and 8′ positions of the 2H-chromene moiety of the molecules were characterized. The molecular structures of spiropyrans were establis...

    A. D. Pugachev, V. V. Tkachev, I. V. Ozhogin, M. B. Lukyanova… in Russian Chemical Bulletin (2021)

  17. 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)

  18. No Access

    Article

    Electronic structure and magnetic properties of pyridinophane complexes of iron with radical-bearing catecholates: a quantum chemical study

    A computer simulation of the structure, energy characteristics, and magnetic properties of mononuclear iron(III) complexes with N, N’-substituted 2,11-diaza[3.3]-(2,6)pyridinophane bases and o-benzoquinone ligand...

    V. I. Minkin, A. A. Starikova, M. G. Chegerev, A. G. Starikov in Russian Chemical Bulletin (2021)

  19. 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)

  20. No Access

    Article

    Computational modeling of cobalt diketonate adducts with o-benzoquinones incorporating organosilicon radicals

    A density functional UB3LYP*/6–311++G(d,p) quantum chemical study of the electronic structure, energy characteristics, and magnetic properties of heteroligand cobalt complexes with o-benzoquinones functionalized ...

    A. G. Starikov, M. G. Chegerev, A. A. Starikova, V. I. Minkin in Russian Chemical Bulletin (2021)

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