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Print version | Main page > Institute > Structure of Institute of Catalysis > Research Departments > Department of Physicochemical Methods > Laboratory of Spectral Methods

Laboratory of Spectral Methods

Head - Prof. Dimitri Kochubey

Research fields:

  1. Material science: ultradispersed and amorphous materials.
  2. Layered materials and intercalated compounds.
  3. Surface science of metal catalysts.
  4. Organometal complexes structure.
  5. Synchrotron radiation application.
  6. Development of the new scientific instruments.


            - EXAFS ( Extended X-ray Absorption Fine Structure ) spectrometer in the Siberian Center of Synchrotron Radiation. Spectrometer operates in the transmission, fluorescence, total reflection and total electron yield modes. The measurements can be performed in the reaction gases as well as at variable temperatures.

            - Small Angle X-Ray Scattering (SAXS) based on Kratke chamber. SAXS measurements can be performed in reaction gases to produce kinetic measurements. The particles size measured are of 6-20 nm.

            - Secondary Ion Mass-Spectroscopy (SIMS). Combined with a new designed facilities both SIMS and thermodesorption spectroscopy (TDS) measurements can be done on nonconducting materials (oxides, catalysts, aerosols).

            - Fourier Transform Infrared Spectroscopy (FTIR, Bomem MB-102 IFS)

            - UV-NIR Reflection Spectroscopy.

   Quantum chemical ab initio/DFT approach has been developed to elucidate the structure of complex compounds from the experimental IR and Raman spectra of the non-crystalline materials. In addition, a factor-group analysis of the proper perfect structure is used to investigate the defects in ionic crystals.

            - Scanning Tunneling Microscopy (STM) combined with Auger electron spectroscopy (AES) in ultrahigh vacuum chamber equipped with standard surface science facilities.

Recent achievements

  1. Temperature induced changes of the structure of the giant Pt and Pd clusters was found by in situ EXAFS measurements. The coordination numbers for the Pt-Pt or Pd-Pd nearest distances was sharply decreased at 90C and 130C for Pd and Pt, respectively. This temperature range is closed to peaks in thermogravimetry spectra. The peculiarities of the colloid metal particles structures were determined.
  2. ZrO2 nanoparticles produced by the sol-gel techniques and subsequently modified by Fe, Ni, Al were studied by EXAFS. The cubic phase of ZrO2 was found to be stabilized all admixtures studied. In addition, these admixtures does not produce true solutions.
  3. Both 2H- and 1T- polytypes of the TaS2 single crystal were studied by STM and EXAFS. Charge density waves observed on 1T-TaS2 was suggested to be produced by formation of the three atoms clusters in which Ta atoms rotate around sulfur atom and shifted from basal plane. These three clusters in turn forms the well-known "David's star " structure.
  4. Structure of the amorphous Cu(OH)2 was determined. The amorphization likely consists in shift of the hydroxide layers to about 1/4 period of the c axis.
  5. The structure of the ligand shell of Pd561 giant cluster was determined by FTIR. Oligomerization of the acidic acid molecules was observed. These molecules produce ionic link with cluster surface. The ionic strength of this link is similar to alkali ions.
  6. The composition of the environmental aerosols collected in different part of Siberia including Baikal-lake was determined by SIMS. The low level of the waste pollution but wood fire products in the aerosol composition was found.
  7. . The structure and evolution of the coprecipitated Ni-alumina catalysts of methane decomposition and filamentous carbon deposition were investigated by EXAFS, XRD, AES. The genesis of the catalysts from precipitation up to its deactivation was studied in detail.
  8. The surface structures of highly dispersed carbon materials were investigated by STM and TEM. Data showed that the surface of all carbons is very rough and presumably amorphous. However, the closed-layer structures were found on the filamenteous carbon when nearest and/or next-neighbor graphite layers are linked with carbon atoms in sp2-and sp3-coordination.
  9. It was found that the presence of extra anions usually existed in the parent phases determined the cation distribution in oxides. The spinel like oxide ZnCo2O4  synthesized at low temperature starting from the appropriate salts contains residues of their anions. The structure features was shown to affect the phase transition temperature. The Cu(+2) cations in the tetrahedral sites of the spinel CuCr2O4 was shown to remove while reduction.
  10. The structure of the amorphous product of iron sulfate hydrolysis was determined. It was shown that sulfate anion was not in the first coordination sphere of iron, but was retained in the structure by the hydrogen bonds frame.
  11. Pressure-induced frequency shifts in IR spectra of several molecules and coordination compounds containing nitro- and nitrito-groups were interpreted using quantum chemical and normal coordinate analysis. The O-N-O angle distortion showed to be responsible for the anomalous frequency shifts in Co(III)-nitrito-complexes.
  12. 11. Vibration spectra of cyanoguanidine in different states led to the alternative viewpoint on its structure. It was suggested that there were, at least, two co-existing tautomers with conjugated and isolated multiple bonds. Experimental data was confirmed by quantum chemical calculations of the most probable structural forms of this compound.

Recent publications

  • Dolbnya I.P., Kulipanov G.N., Lyakh V.V., Makarov O.A., Pindyurin V.F., Kochubey D.I., Gorin G.B., Gjunsburg E.A., Zvezdova A.N., Micron spatial resolution X-ray image plates with non-erasing reading. Nuclear Instruments and Methods in Physical Research A. 359 (1995) 376-378.
  • Ivanov V.P., Trukhan S.N., Ion-induced CO adsorption on polycrystalline nickel, secondary ion mass spectrometry study., React. Kinet. Catal. Lett. 55 (1995) 111-120.
  • Kochubey D.I., Nikitenko S.G., Parmon V.N., Gruzdkov Yu.A., Tributsch H., Alonso-Vante N., In situ EXAFS-electrochemical study of reduction of molecular oxygen on Mo-Ru-Se thin layers electrodes in acidic media., Physica B. 208-209 (1995) 694-696.
  • Marshneva V.I., Slavinskaya E.M., Kalinkina O.V., Odegova G.V., Moroz E.M., Lavrova G.V., Salanov A.N. The influence of support on the activity of monolayer vanadia-titania catalysts for selective catalytic redaction of NO with ammonia., J. Catal. 52 (1995) 263-274
  • Shaikhutdinov S.K., Avdeeva L.B., Goncharova O.V., Kochubey D.I., Novgorodov B.N., Plyasova L.M., Coprecipitated Ni-Al and Ni-Cu-Al catalysts for methane decomposition and carbon deposition. I.Genesis of calcined and reduced catalysts., Appl. Catal. A. 126 (1995) 125-139.
  • Avdeeva L.B., Goncharova O.V., Kochubey D.I., Novgorodov B.N., Zaikovskii V.I., Plyasova L.M. Shaikhutdinov S.K., Coprecipitated Ni-alumina and Ni-Cu-alumina catalysts for methane decomposition and carbon deposition. II.Evolition of the catalysts in reaction, Appl. Catal. A. 141 (1996) 117-129.
  • Shaikhutdinov S.K., Zaikovskii V.I. Avdeeva L.B., Coprecipitated Ni-Al and Ni-Cu-Al catalysts for methane decomposition and carbon deposition. III.Morphology and surface structure of the carbon filaments, Appl. Catal. A. A148 (1996) 123.
  • Tsodikov M.V., Bukhtenko O.V., Ellert O.G., Sherbakov V.M., Kochubey D.I., Low-temperature formation mechanism of double oxides FexZr(Ti)1-0.75xO2- prepared from alkoxides and acetylacetonates., J. Mater. Science. 30 (1995) 1087-1094.
  • Arbuznikov A.V., Sheludyakova L.A., Burgina E.B., Ab initio study of cyanoguanidine isomers., Chem. Phys. Lett. 240 (1995) 239-244.


  • Yurchenko E.N., Kustova G.N., Bazanov S.S., Vibrational Spectra of the inorganic compounds, Novosibirsk, Nauka, 1981, 142p.
  • Kochubey D.I., Babanov Yu.A., Zamaraev K.I., Vedrinskii R.V., Kraizman V.L., Kulipanov G.N., Mazalov L.N., Skrinskii A.N., Fedorov V.K., Kshelmer B.Yu., Shuvaev A.T., X-Ray Method of the Amorphous Materials Structure Study: EXAFS-spectroscopy, Novosibirsk, Nauka, 1988, 306p.
  • Kochubey D.I., EXAFS Spectroscopy of the Catalysts, Novosibirsk, Nauka, 1992, 145p.

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