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Specialization: 011200  Physics
Program: 13 Theoretical and Applied Spectroscopy of Molecular Systems
Head of the program: Doctor of Physics and Mathematics Sciences, Prof.  K. G. Tokhadze
Department of Molecular Spectroscopy
Scientific advisor: Candidate of Physics and Mathematics Sciences, Docent. V. P.  Bulychev
Reviewer: Candidate of Physical and Mathematics Sciences, Docent M. V. Buturlimova

Theoretical and experimental study of the interaction of the C=O and H-F vibrations in the (CH_3)_2CO…HF 
Y.A. Svishcheva 

The work describes the results of high-precision experiments and nonempirical calculations. 
Interpretation of spectral features of the experimental absorption band in the region of the H−F stretching vibration is based on accurate ab initio calculations of the equilibrium configuration of the complex and the potential and dipole moment surfaces and on variational solutions of one-, two-, three, and four-dimensional vibrational Schrödinger equations. Particular attention has been given to elucidation of the influence of anharmonic coupling of high-frequency modes with the low-frequency intermolecular modes on the transition frequencies and intensities and the strength of resonance between the fundamental H−F and the first overtone C=O transitions. These effects are of importance in understanding the intra-complex dynamics and the mechanisms of band shape formation.
The spectra were obtained with the core facility of RC "Geomodel" of SPbGU

The list of the publications
1.	E. A. Svishcheva
Influence of anharmonic interactions of vibrations on the spectral transitions intensities of H-bonded complex of acetone with hydrogen fluoride.
International Student Conference "Science and Progress". 12 - 16 November 2012. St.Petersburg. Russia. Book of Abstracts 130.
2.	E. A. Svishcheva
Calculation of the Interaction of the C=O, H-bond, and H-F Stretching Vibrations in the Acetone-HF Complex.
 Workshop: Hydrogen Bonds between the Disciplines. 11 – 12 September 2011. Gottingen. Germany. Book of Abstracts P02.