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The course focuses on understanding the principles of intermolecular interactions and their consequences. The course focuses on the principles of molecular recognition, and analytical tools for its studying.
Last update: Kubová Petra (29.01.2018)
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Students will be able to: Recognize the different types of intermolecular interactions for a molecular structure, estimate their manifestation, and suggest analytical methods for their study. Last update: Kubová Petra (29.01.2018)
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R: Principles and methods in supramolecular chemistry, Hans-Jörg Schneider, Anatoly Yatsimirsky, John Wiley & Sons Ltd, 2000 R: Molekulární design, Pavel Lhoták, Ivan Stibor, VŠCHT Praha, 1997 A: Analytical methods in supramolecular chemistry, Christoph Schalley, WILEY-VCH Verlag GmbH & Co. KGaA, 2007 A: Binding Constants: The measurement of molecular complex stability, Kenneth A. Connors, John Wiley & Sons Ltd, 1987 Last update: Kubová Petra (29.01.2018)
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Web: http://www.vscht.cz/anl/dolensky/supramol/index.html Last update: Kubová Petra (29.01.2018)
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Lessons Last update: Kubová Petra (29.01.2018)
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1. Introduction: history, milestones, definition and concepts of supramolecular chemistry, host-guest chemistry, drug-substrate interactions, molecular recognition. 2. Supermolecules: characteristics of molecular complexes, definition of binding constants, binding energy; thermodynamics of complexation, Gibbs and Hemholtz energy, activation energy and volume; cooperation effect, affinity, selectivity, enthalpy-entropy compensation, solvophobic effect, close packing. 3. Intermolecular interactions: physical view on intermolecular interactions; ion-ion (Coulomb), ion-dipole/multipole, dipole-dipole (Keesom), multipoles, induced dipoles and their interactions with ion (Debye), dipole and induced dipole (London); van der Waals interactions. 4. Hydrogen bonds: definition and characteristics of classical (proper, conventional) hydrogen bond; red shift, blue shift and no-shift hydrogen bonds; non-classical hydrogen bonds, inverse hydrogen bond, dihydrogen bond; example of hydrogen bonds utilizations and examples from living organisms. 5. Halogen bonds: definition and characteristics of halogen bonds of chloro , bromo and iodocompounds; example of halogen bond in crystal engineering, drug-enzyme complexes, anesthetic effect; relationship to hydrogen bonds; special interactions of fluorocompounds. 6. Bonds of aromates: definition and characteristics of bonds related to aromatic parts of molecules; face to face (π π) interactions, parallel displacement and sandwich; face to edge (CH π) interactions, T and Y shape interactions; the roles in biological systems; molecular tweezers. 7. Cations: overview of functional groups and molecules for binding of cations, ionophores; cooperation effect, chelate effect, template effect, pre organization, complementarity; complexons, crownethers, cryptands, sferands, etc.; antibiotics, diseases connect with cations. 8. Anions and neutral molecules: overview of functional groups and molecules for binding of anions and neutral molecules, catapinands, clathrates. 9. Analytical methods: determination of binding constants; nuclear magnetic resonance, isothermal titration calorimetry, vapor pressure osmosis, chromatography, extraction, dialysis, infrared spectroscopy, mass spectrometry, small angle light scattering, plasmon resonance, atomic force microscopy, etc. 10. Supramolecular technologies: self-assembly, artificial enzymes, molecular machines and devices, molecular reactors and flasks, etc.; relation to nanotechnology. Last update: Kubová Petra (29.01.2018)
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The basics in organic and analytical chemistry Last update: Kubová Petra (29.01.2018)
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| Teaching methods | ||||
| Activity | Credits | Hours | ||
| Účast na přednáškách | 1 | 28 | ||
| Příprava na zkoušku a její absolvování | 2 | 56 | ||
| 3 / 3 | 84 / 84 | |||