Molecular Vibrations and Their Role in the Association of Molecules

Data

Official data in SubjectManager for the following academic year: 2023-2024

Topic

This course discuss the main molecular properties which considerably affect the molecular associations with special emphasis on the Rice-Ramsperger-Kassel-Marcus theory. Accordingly, the kinetic energy distribution within the context of the molecular vibrations will be discussed and applied to determine the adsorption characteristics of large molecules on solid surfaces, polymerization processes. Elementary chemical reactions together with the antigen – antibody interactions will be discussed including polymerization of dental composites, association of ions with cyclodextrins and polymerization of Somatostatin-14 hormone as examples.

Lectures

• 1. Vibrations of molecules, examples, normalmode vibrations, quantum numbers - Dr. Kunsági-Máté Sándor
• 2. Vibrations of molecules, examples, normalmode vibrations, quantum numbers - Dr. Kunsági-Máté Sándor
• 3. Experimental background, infra red and Raman spectra. Spectrometers, sample holders, diffraction elements. - Dr. Kunsági-Máté Sándor
• 4. Experimental background, infra red and Raman spectra. Spectrometers, sample holders, diffraction elements. - Dr. Kunsági-Máté Sándor
• 5. Theoretical background, group theory. Complementarity of the infra red and Raman spectra. Water as key solvent. - Dr. Kunsági-Máté Sándor
• 6. Theoretical background, group theory. Complementarity of the infra red and Raman spectra. Water as key solvent. - Dr. Kunsági-Máté Sándor
• 7. The micro-Raman equipment, microscopy and spectroscopy in one hand. Combination with atomic force microscopy. - Dr. Kunsági-Máté Sándor
• 8. The mictro-Raman equipment, microscopy and spectroscopy in one hand. Combination with atomic force microscopy. - Dr. Kunsági-Máté Sándor
• 9. Surface enhanced Raman spectroscopy (SERS) and the Tip enhanced Raman spectroscopy (TERS) - Dr. Kunsági-Máté Sándor
• 10. Surface enhanced Raman spectroscopy (SERS) and the Tip enhanced Raman spectroscopy (TERS) - Dr. Kunsági-Máté Sándor
• 11. Applications: Self association of Somatostatin-14 followed by Raman spectroscopy - Dr. Kunsági-Máté Sándor
• 12. Applications: Effect of molecular vibrations on the selectivity character of pyridino-18-crown-6 derivatives towards potassium ion - Dr. Kunsági-Máté Sándor
• 13. Applications: Solvent effect on the complex formation of a crown ether derivative with sodium and potassium ions. Thermodynamic background of selectivity - Dr. Kunsági-Máté Sándor
• 14. Applications: Role of allyl alcohol and sodium 4-vinylbenzenesulphonate in the electrooxidation of phenol - Dr. Kunsági-Máté Sándor
• 15. Applications: Palladium-catalized reactions of steroids. Effect of the structural changes made in ring A on the reactivity character of ring C: distribution of molecular vibrations - Dr. Kunsági-Máté Sándor
• 16. Applications: Temperature-Induced Change of Water Structure in Aqueous Solutions of Some Kosmotropic and Chaotropic Salts - Dr. Kunsági-Máté Sándor
• 17. Applications: Change of liquid water structure under the presence of phosphate anion during changing its kosmotropic character to chaotropic along its deprotonation route - Dr. Kunsági-Máté Sándor
• 18. Applications: Change of liquid water structure under the presence of phosphate anion during changing its kosmotropic character to chaotropic along its deprotonation route - Dr. Kunsági-Máté Sándor
• 19. Applications: Quantification of Conversion Degree and Monomer Elution from Dental Composite Using HPLC and Micro-Raman Spectroscopy. - Dr. Kunsági-Máté Sándor
• 20. Applications: Degree of conversion and in vitro temperature rise of pulp chamber during polymerization of flowable and sculptable conventional, bulk-fill and short-fibre reinforced resin composites - Dr. Kunsági-Máté Sándor
• 21. Applications: Effect of exposure time and pre-heating on the conversion degree of conventional, bulk-fill, fiber reinforced and polyacid-modified resin composites - Dr. Kunsági-Máté Sándor
• 22. Applications: Morphology Dependence of Raman Properties of Carbon Nanotube Layers Formed on Nanostructured CeO2 Films. - Dr. Kunsági-Máté Sándor
• 23. Applications: Infrared absorption of methanol-water clusters (CH3OH)n(H2O), n = 1–4, recorded with the VUV-ionization/IR-depletion technique - Dr. Kunsági-Máté Sándor
• 24. Applications: Structural properties of methanol - water binary mixtures within the quantum cluster equilibrium model - Dr. Kunsági-Máté Sándor
• 25. Applications: Reducing structural defects and improving homogeneity of nitric acid treated multi-walled carbon nanotubes - Dr. Kunsági-Máté Sándor
• 26. Applications: Ethanol assisted formation of aligned MWCNT bundles on nanostructured ZnO surface - Dr. Kunsági-Máté Sándor
• 27. Applications: Ethanol induced formation of graphene fractions suspended in acetonitrile - Dr. Kunsági-Máté Sándor
• 28. Applications: EtOH induced formation of nanographite fractions and their reorganization on nanostructured CeO2 films - Dr. Kunsági-Máté Sándor

Practices

Seminars

Reading material

Obligatory literature

David Freifelder: Physical Biochemistry

Literature developed by the Department

Slides and notes of all lectures are available electronically. All topics discussed will be associated with papers published recently. Those
papers together with the related doctoral dissertations in English will also be offered to support the teaching.

Notes

Slides and notes of all lectures are available electronically. All topics discussed will be associated with papers published recently. Those
papers together with the related doctoral dissertations in English will also be offered to support the teaching.

Recommended literature

Slides and notes of all lectures are available electronically. All topics discussed will be associated with papers published recently. Those
papers together with the related doctoral dissertations in English will also be offered to support the teaching.

Conditions for acceptance of the semester

Maximum of 25 % absence allowed

Mid-term exams

One test in the 10th week, one summary prepared about the topic of lectures and one presentation prepared within the scope of the course.

Making up for missed classes

-

Exam topics/questions

Vibrations of molecules, examples, normalmode vibrations, quantum numbers
Experimental background, infra red and Raman spectra. Spectrometers, sample holders, diffraction elements.
Theoretical background, group theory. Complementarity of the infra red and Raman spectra. Water as key solvent.
The mictro-Raman equipment, microscopy and spectroscopy in one hand. Combination with atomic force microscopy.
Surface enhanced Raman spectroscopy (SERS) and the Tip enhanced Raman spectroscopy (TERS)
Self association of Somatostatin-14 followed by Raman spectroscopy
Effect of molecular vibrations on the selectivity character of pyridino-18-crown-6 derivatives towards potassium ion
Solvent effect on the complex formation of a crown ether derivative with sodium and potassium ions. Thermodynamic background of selectivity
Role of allyl alcohol and sodium 4-vinylbenzenesulphonate in the electrooxidation of phenol
Temperature-Induced Change of Water Structure in Aqueous Solutions of Some Kosmotropic and Chaotropic Salts
Change of liquid water structure under the presence of phosphate anion during changing its kosmotropic character to chaotropic along its deprotonation route
Quantification of Conversion Degree and Monomer Elution from Dental Composite Using HPLC and Micro-Raman Spectroscopy.
Degree of conversion and in vitro temperature rise of pulp chamber during polymerization of flowable and sculptable conventional, bulk-fill and short-fibre reinforced resin composites
Effect of exposure time and pre-heating on the conversion degree of conventional, bulk-fill, fiber reinforced and polyacid-modified resin composites
Morphology Dependence of Raman Properties of Carbon Nanotube Layers Formed on Nanostructured CeO2 Films.
Infrared absorption of methanol-water clusters (CH3OH)n(H2O), n = 1–4, recorded with the VUV-ionization/IR-depletion technique
Structural properties of methanol - water binary mixtures within the quantum cluster equilibrium model
Reducing structural defects and improving homogeneity of nitric acid treated multi-walled carbon nanotubes
Ethanol assisted formation of aligned MWCNT bundles on nanostructured ZnO surface
Ethanol induced formation of graphene fractions suspended in acetonitrile
EtOH induced formation of nanographite fractions and their reorganization on nanostructured CeO2 films

Examiners

Instructor / tutor of practices and seminars