Archive for 28.07.2014

Journal of Molecular Structure, 2014

P.B. Davidovich, D.S. Novikova, V.G. Tribulovich, S.N. Smirnov, V.V. Gurzhiy, G. Melino, A.V. Garabadzhiu

”First X-ray Structural Characterization of Isatin Schiff-Base Derivative. NMR and Theoretical Conformational Studies”

Journal of Molecular Structure, 20141075, 450-455

DOI: 10.1016/j.molstruc.2014.07.008

Isatin (1H-indole-2,3-dione) is an endogenous natural compound under intense development in medicinal chemistry. Here, we characterize isatin Schiff base derivative by X-ray crystallography. We describe a derivative that crystallizes E-isomer form in the triclinic space group P1; a=5.9580 (4) Å, b=8.4184 (7) Å, c=14.1801 (14) Å, α = 73.962 (8)°, β =83.184 (7)°, γ = 81.143 (6)°. NMR data show that E-conformer interconverts to the Z-conformer when dissolved, this equilibrium weakly depends on the solvent type. The Z-isomer geometry and the energetics of ΔEE-Z interconversion barriers were determined by quantum chemical calculations. The isomers are further characterized by means of FT-IR and UV-Vis spectroscopy.

Inorganic Chemistry 2014

A. Miroslavov, Y. Polotskii, V. Gurzhiy, A. Ivanov, A. Lumpov, M. Tyupina, G. Sidorenko, P. Tolstoy, D. Maltsev, D. Suglobov

“Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters”

Inorg. Chem. 2014, Article ASAP


Technetium(I) and rhenium(I) pentacarbonyl complexes with ethyl 2-isocyanoacetate and methyl 11-isocyanoundecanoate, [M(CO)5(CNCH2COOEt)]ClO4 (M = Tc (1) and Re (2)) and [M(CO)5(CN(CH2)10COOMe)]ClO4 (M = Tc (3) and Re (4)), were prepared and characterized by IR, 1H NMR, and 13C{1H} NMR spectroscopy. The crystal structures of 1 and 2 were determined using single-crystal X-ray diffraction. The kinetics of thermal decarbonylation of technetium complexes 1 and 3 in ethylene glycol was studied by IR spectroscopy. The rate constants and activation parameters of this reaction were determined and compared with those for [Tc(CO)6]+. It was found that rhenium complexes 2 and 4 were stable with respect to thermal decarbonylation. Histidine challenge reaction of complexes 1 and 2 in phosphate buffer was examined by IR spectroscopy. In the presence of histidine, the rhenium pentacarbonyl isocyanide complex partially decomposes to form an unidentified yellow precipitate. Technetium analogue 1 is more stable under these conditions.

Визит профессора Andreae

Сегодня РЦ посетил Prof. Dr. Meinrat O. Andreae – директор отделения биогеохимии в Институте химии им. Макса Планка, Майнц, Германия.

СПбГУ замер на пороге больших перемен.

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Представители МГТУ

Сегодня РЦ посетили представители Мурманского государственного технического университета, том числе и заместитель ректора по науке и стратегическому развитию, профессор Кибиткин Андрей Иванович.

Июнь 2014

В июне выполнено 1074 заявки на сервисные измерения.


  • 1031 спектр 1H
  • 204 спектра 13C
  • 93 спектра DEPT
  • 22 спектра COSY
  • 17 спектров NOESY
  • 44 спектра 31Р
  • 78 спектров 19F

Выполнено 60 заявок на выполнение работ, измерения по которым в сумме заняли 1070 часов.