The Center started cooperation with the working group of Prof. Alexander Filarowski from the Department of Chemistry of Wroclaw University, Poland in the study of the structure and dynamics of Schiff bases and hindered rotation of the amide group in a number of organic compounds.
filarowski

Our contribution to the Central European School on Physical Organic Chemistry, 27-31 of May 2013, Poland

  • Lecture by P.M. Tolstoy «NMR Study of Hydrogen Bond Cooperativity in Model Systems and in Vitamin B6-dependent Enzymes».
  • Oral and poster presentation by S.A. Pylaeva «Molecular dynamics study of OHO– and OHN hydrogen bond geometry distribution due to polar solvent fluctuations».
  • Oral and poster presentation by RC user E.Yu. Tupikina «CH-acids as proton donors for hydrogen bonds: structure and properties of 1,1-dinitroethane».

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RC seminar involving employees of the Institute of Macromolecular Compounds, Russian Academy of Sciences (laboratory "Mechanism of polymerization and polymer synthesis"). Presentation of promising areas of research conducted in the detention center, to discuss possible areas of joint work involving staff of SPBU.​

Borissova, A. O.; Lyssenko, K. A.; Gurinov, A. A.; Shenderovich, I. G.

«Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction»

Z. Phys. Chem. 2013, 227 (6-7), 775-790.

DOI

Abstract
The hydrogen bond pattern and the types of non-covalent interactions in the crystals of the 1:1 and 1:2 adducts of 2,4,6-trimethylpyridine and benzoic acids are studied using high-resolution X-ray diffraction. The geometries of the hydrogen bonds are estimated using a combined XRD/DFT approach that provides the geometrical parameters within the margin of error of neutron diffraction studies. The energies of the non-covalent interactions are estimated on the base of the experimental electron density distribution function. It is shown that the structures of the adducts are governed by the NOH and OHO hydrogen bonds. In turn, C-H…O contacts and stacking interactions define the packing of the adducts in the crystal. On the other hand, it is important to note that the latter interactions affect the competition of the former hydrogen bonds in some 1:2 adducts.

Meeting in RC with Prof.Dr. Habip Dayioglu, head of Textile Engineering Department of Istanbul Commerce University, Turkey
The meeting was attended by the head. Chair of Macromolecular Compounds A. Bilibin, Head. Chair of Solid State Chemistry IV Murin Discussed the possibility of joint cooperation.