Head: Vadim V. Kachala, Phd (Chem.) (e-mail: firstname.lastname@example.org, tel. +7(499)137-6751)
NMR spectroscopy in solutions and solid samples
NMR spectroscopy in non-standard media (ionic liquids, colloidal systems)
Master classes on practical NMR spectroscopy
Establishing the molecular structure, determining the substance purity, abd monitoring reactions are baseline objectives in the organic synthesis, research of natural compounds and organoelement chemistry.
Vadim V. Kachala
Over the past 35 years, Nuclear Magnetic Resonance has evolved into a powerful analytical tool for solving problems in various fields of science. Improving the hardware base, introducting new materials and computational methods have greatly expanded the NMR capabilities making available the techniques that seemed either difficult to implement or expensive.
NMR spectroscopy benefits:
· a non-destructive method
· qualitative and quantitative analysis directly of reaction mixtures
· unique structural information
· easy sample preparation
· applicability to organic and organometallic molecules and systems
The team does molecular structure research using advanced physicochemical methods, among which Nuclear Magnetic Resonance (NMR) spectroscopy plays an important role. The method makes it possible to virtually assemble an unknown molecule from atoms on the basis of spectral data. We use state-of-the-art NMR spectrometers to analyse a substance both by conventional methods of high-resolution NMR and by fast-evolving solid body, diffusion and microtomography techniques.
Currently, ZIOC RAS is equipped with six Bruker NMR spectrometers: two for 200 MHz and for 300, 400, 500, and 600 MHz, which are essential tools for performing various studies.
500 and 600 MHz instruments and modern NMR techniques such as 2D are used for complex molecules.
In addition to the molecule structure confirmation, NMR spectroscopy helps studying the kinetics of chemical reactions and their mechanisms and doing a more detailed research of molecules, including calculations of energy of different conformations, rotation barriers, inversion, etc.
Another NMR application is directly related to one of the ZIOC activities – addressing issues of the catalysis and mechanisms of catalytic reactions. NMR of solid specimens allows examining catalysts.
NMR spectroscopy is a “must do” method of research in ZIOC RAS and various one- and two-dimension procedures on protons and other heteronuclei make it suitable for a variety of applications.
2 reviews and 81 scientific papers were published over the past five years.
V.P. Ananikov, S.S. Zalesskiy, V.V. Kachala, I.P. Beletskaya. NMR approach for the identification of dinuclear and mononuclear complexes: The first detection of [Pd(SPh)2(PPh3)2] and [Pd2(SPh)4(PPh3)2] – The intermediate complexes in the
Khokhlova E. A., Kachala V. V., Ananikov V. P., "The First Molecular Level Monitoring of Carbohydrate Conversion to 5-Hydroxymethylfurfural in Ionic Liquids.
B2O3 - An Efficient Dual-Function Metal-Free Promoter for Environmentally Benign Applications", ChemSusChem, 2012, 5, 783 - 789.
D.V. Demchuk, A.A. Grachev, I.V. Mishin and E.K. Starostin. «Formation of boron carbide under the action of low-voltage nonstationary electrical discharges on boric acid esters.» Mend. Comm, 2013 vol. 23, issue 6, pp. 329-330
V.V. Kachala, L.L. Khemchyan, A.S. Kashin, N.V. Orlov, A.A. Grachev, S.S. Zalesskiy and V.P. Ananikov. «Target-oriented analysis of gaseous, liquid and solid chemical
systems by mass spectrometry, nuclear magnetic resonance spectroscopy and electron microscopy».
Russ. Chem. Rev., 2013 (82), №9 pp.648-685
Khemchyan L. L., Khokhlova E. A., Seitkalieva M. M., Ananikov V. P., "Efficient sustainable tool for monitoring chemical reactions and structure determination in ionic liquids by electrospray ionization mass spectrometry", ChemistryOpen, 2013