Laboratory of Physical Chemistry

 


The head of the laboratory of physical chemistry,

Vice-chairman of Baykal analytical center for collective use SB RAS 
Ph.D., senior researcher, Smirnov V.I.

Phone (3952)42-59-11;E-mail:This email address is being protected from spambots. You need JavaScript enabled to view it.

Staff:

V.I. Smirnov Ph.D., senior researcher. (Head of Laboratory)

V. F. Sidorkin Ph.D., Leading researcher, Laureate of the State Prize of

Russia

A. V. Vashchenko Ph.D., senior researcher

L. V. Klyba Ph.D., senior researcher

K. B. Petrushenko Ph.D., senior researcher

V. A. Shagun Ph.D., senior researcher

A. A. Tatarinova Ph.D., senior researcher

T. N. Aksamentova Ph.D., senior researcher

V. V. Belyaeva Ph.D., senior researcher

I. M. Lazarev Ph.D., senior researcher

E. P. Doronina Ph.D., researcher

E. F. Belogolova Ph.D., researcher

T. N. Borodina junior researcher

T. V. Mamaseva Leading specialist

I. V. Sterhova Ph.D., leading specialist

V. A. Kuhareva leading specialist

I. Ю. Berestneva leading specialist

I. M. Korotaeva leading specialist

N. S. Monoreva engineer

L. M. Sinegovskya professor, Ph.D.,

Field of interests:

Peculiarity, structure and physical-chemical properties of heteroatomic and elementorganic compounds based on molecular and submolecular levels by methods of molecular spectroscopy, mass- spectrometry, X-ray analysis and quantum chemistry.

Basic concepts:

  • Quantum chemical investigation of formation of ion-containing monomers, macromolecules and hybrid nanocomposites based on iodine-substituted aldehydes, ketones, acids, ethers and iodine- metals.
  • Design, investigation of structure and properties of new г hypo — and hypervalent compounds of 14-th group.
  • Investigation pendulous systems based on bifurcated hydrogen bond, formed by different heteroatomic structures.
  • Photophysical properties and photochemical reactions of molecules, containing pyrrole, pyridine and other heterocyclic blocks.
  • Stereoelectronic structures of new heteroatomic and elementorganic compounds and their complexes with halogenide metal by molecular spectroscopy and X-ray analysis.
  • Estimating the paths of fragmentation under electron or chemical ionization in a gas phase of N-,S- containing organic compounds.
  • Elemental and spectral analysis of organic and elementorganic compounds.
  • Servicing of projects, carried out by different laboratories, i.e. analysis and identification of new compounds by molecular spectroscopy, X-ray and elemental microanalysis.

Laboratory equipment: X-Ray diffractometer Bruker D8 VENTURE, X-ray diffract meter D2 PHASER, IR Fourier spectrometer Vertex 70 with Raman detachable device, IR Fourier spectrometer Excalibur HE 3100 Varian, Element analyzer Flash EA 1112 CHN-O/MAS 200, Element analyzer Thermo Flash EA 2000 CHNS, Impulse EPR spectrometer with Fourier transformation ELEXSYS E580, Nanosecond pulse photolysis instrument, Chromato-mass-spectrometer QP-5050A, Chromato-mass-spectrometer Agilent 5975 with chemical ionization, Mass-spectrometer TOF/TOF Ultra Flex, Electron microscope ТМ 3000 Hitachi, Spectrum fluorimeter FLPS920 Edinburg Instruments, UV/VIS- spectrometer LAMBDA 35.

Software: GAUSSIAN, TURBOMOLE, GAMESS and DALTON.

The qualified specialists and modern laboratory equipment, corresponding to the world standards, is the basis for fundamental research of the „Analysis of organic substances” department of „Baikal Analytical Center for collective use SB RAS”. Annually, the students of chemical department of the Irkutsk State University are trained on the experimental base of the laboratory.

Main achievements:

§ The existence of stable „facial” complexes of trivalent C and Si atoms with arrenes have been theoretically predicted.

Carbotranofanes — the first neutral hypervalent compounds with trigonal — pyramidal carbon atom (10-С-5) have been theoretically designed.

§ The new approaches to analyze the bond nature and discrimination of the weak nonvalent interactions have been developed. Criterions and distinctive peculiarities of weak intramolecular hydrogen bonds and van der Waals interactions as repulsive as attractive nature have been defined. This method allows to estimate the energy of such interactions.

§ The mechanism of C-C bond formation has been found in the reaction of deiodination of iodine derivatives of ketones at the obtaining of di- and polyketones, polythiones and macroheterocyclic systems.

Publications:

Sidorkin V.F., Doronina E.P., Belogolova E.F. Cage Complexes of Carbenium and Silylium Cations with an Aromatic Base. Is the η6 Coordination Type Realizable? // Organometallics. — 2012. — V. 31, Is. 21. — P. 7511-7521.

Shagun, V. A.; Smirnov, V. I.; Sinegovskaya, L. M.; et al.

Reaction between beta-phenyl-alpha-alanine and 4-hydroxy-4-methylpent-2-ynenitrile: a spectroscopic and quantum chemical study //RUSSIAN CHEMICAL BULLETIN — 2011. — V. 60, Is. 12. — P. 2451-2456

Levanova E.P., Grabelnykh V.A., Rozentsveig I.B., Russavskaya N.V., Trofimova I.N., Smirnov V.I., Myachina G.F., Korchevin N.A. Preparative method for nanoparticles of metal chalcogenides. // RU Patent № 2417863 — 2011. — Bull. № 13. 2011

Malysheva S.F., Gusarova N.K., Artem’ev A.V., Belogorlova N.A., Smirnov V.I., Shagun V.A., Kuimov V.А., Trofimov B.A. Superbase-assisted addition of phosphine to 1-methoxy-4-vinylbenzene: towards rare family of organic phosphines. // Synthetic Communications _ 2012. _Vol. 42. P. 1685-1694

Shagun, L. G.; Dorofeev, I. A.; Tokareva, I. A.; et al.

New synthesis of poly(phenothiazine-3,7-diyl) //RUSSIAN JOURNAL OF ORGANIC CHEMISTRY — 2012. — V.48, Is. 9. — P. 1263-1264

Tarasova O.A., Tatarinova I.V., Vakul’skaya T.I., Khutsishvili S.S., 346500, Prozorova G.F., Mikhaleva A.I., Trofimov B.A. Propargyloxy- and allenyloxymethylferrocenes: Synthesis and oligomerization. // J. Organomet. Chem. — 2013. — V. 745-746, 1. — P. 1-7.

Gusarova N.K., Chernysheva N.А., Klyba L.V., Shagun V.А., Yas’ko S. V., Smirnov V.I., Trofimov B.A. Mass spectrometry and quantum chemical studies of the reaction of divinyl telluride with secondary phosfine sulfides: Synthesis of adducts. // J. Organomet. Chem. — 2013. — P. 126 −132.

Belogolova E.F., Sidorkin V.F. Correlation among the Gas-Phase, Solution, and Solid-Phase Geometrical and NMR Parameters of Dative Bonds in the Pentacoordinate Silicon Compounds. 1-Substituted Silatranes. // J. Phys. Chem. A. — 2013. — V. 117, Is. 25. — P. 5365-5376.

Sidorkin V. F., Doronina E. P., Belogolova E. F. A New Approach to the Design of Neutral 10-C-5 Trigonal-Bipyramidal Carbon Compounds: A „π-Electron Cap” Effect // Chem.-Eur. J. — 2013. — V. 19, Is. 31. — P. 10302-10311.

Promotions during the last three years

Petrushenko I.K., post-graduate, defended his thesis titled „Excited states and photoinduced reactions of tricyclic conjugated systems based on pyrrole”

(Supervisor — Ph.D., senior researcher, Smirnov V.I.).

Research grants for the last 3 years:

Project V.44.1. Section V.44.1.1. „Investigation of a structure, peculiarities and physical-chemical properties of new heteroatomic and elementorganic compounds based on molecular and submolecular level by spectroscopic and quantum chemistry methods”.

Supervisor — Ph.D., senior researcher, Smirnov V.I.

Grant RFBR. „Silanon complexes with bidentate ligands”.

Principal Investigator — Ph.D., researcher, Doronina E.P.

Grant RFBR. „Synthesis and conformational structure of NH-acidity and supramolecular structure of new silylsubstituted amides, sulfonamides and triflamides”.

Principal Investigator — Ph.D., leading specialistsSterhova I.V.

 

 

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