Archive for July 20, 2012

VVV-2012 conference

On the VVV-2012 conference that took place in Novosibirsk on the 15-20 of July 2012 was presented a talk

P. M. Tolstoy, B. Koeppe, J. Guo, S. A. Pylaeva, G. S. Denisov, H.-H. Limbach, “Reaction Pathways of Proton Transfer in Anionic OHO Hydrogen Bonded Complexes”.

NMRCM-2012 conference

On the NMRCM-2012 conference that took place in St. Petersburg on the 9-14 of July 2012 were presented two talks

P. Tolstoy, B. Koeppe, S. Pylaeva, E. T. J. Nibbering, D. Sebastiani, G. Denisov, H.-H. Limbach, “Solvation of H-Bonded Complexes by Polar Aprotic Solvents: Coupling of the Proton Position to the Solvent Configuration”.


S. Pylaeva, P. Tolstoy, B. Koeppe, C. Allolio, D. Sebastiani, G. Denisov, “Fluctuations of H-bond geometry due to the solvent-solute interactions studied by means of computer simulations”.

The latter was awarded for the best poster.

New article in J. Phys. Chem. A is published

J. Guo, P. M. Tolstoy, B. Koeppe, N. S. Golubev, G. S. Denisov, S. N. Smirnov, H.-H. Limbach

“Hydrogen Bond Geometries and Proton Tautomerism of Homo-Conjugated Anions of Carboxylic Acids Studied via H/D Isotope Effects on 13C NMR Chemical Shifts”

J. Phys. Chem. A 2012, ASAP.
DOI: 10.1021/jp304943h.


Ten formally symmetric anionic OHO hydrogen bonded complexes, modeling Asp/Glu amino acid side chain interactions in nonaqueous environment (CDF3/CDF2Cl solution, 200–110 K) have been studied by 1H, 2H, and 13C NMR spectroscopy Read more