Chemical principles - MC260P144

• Title: Chemical principles
• Guaranteed by: Department of Physical and Macromolecular Chemistry (31-260)
• Faculty: Faculty of Science
• Actual: from 2023
• Semester: winter
• E-Credits: 5
• Examination process: winter s.:
• Hours per week, examination: winter s.:2/3, C+Ex [HT]
• Capacity: unlimited
• Min. number of students: unlimited
• 4EU+: no
• Virtual mobility / capacity: no
• State of the course: taught
• Language: English
• Guarantor: doc. RNDr. Filip Uhlík, Ph.D.
• Teacher(s): Michal Mazur, Ph.D.; Ing. Lucie Nová, Ph.D.; prof. RNDr. Miroslav Štěpánek, Ph.D.; doc. RNDr. Filip Uhlík, Ph.D.

Annotation

Last update: RNDr. Kateřina Ušelová, Ph.D. (31.01.2022)

The course Chemical Principles provides an initial overview of chemical disciplines (such as thermodynamics,
spectroscopy, kinetics, chemical structure and bonding) and their relationships. In-depth understanding of
individual disciplines is left for more specialized lectures in the later stage of the curriculum. The position of
chemistry within the broader range of natural sciences is defined, focusing on the overlaps with physics and
biology. Chemical Principles set the stage for follow-up courses on chemical transformations and characterization.
Due attention is devoted to the connection between microscopic and macroscopic understanding of matter.

The course is built from topical blocks (see Syllabus) each of them consisting of lecture (2h), Q&A session (1h) and
workshop (2h).

Literature

Last update: RNDr. Kateřina Ušelová, Ph.D. (31.01.2022)

• P. Atkins, L. Jones, L. Laverman: Chemical Principles - the Quest for Insight, 7th edition, W. H. Freeman and Company, New York, 2016

• Lecture notes

• Pre-recorded lectures

• Problem sets

• Flowers, Theopold et al. - Chemistry: atoms First (2nd edition, Openstax) - free text

Requirements to the exam

Last update: RNDr. Kateřina Ušelová, Ph.D. (31.01.2022)

• For each topical block students will be provided with the study materials and problem sets and it is expected that students will critically review those materials before Q&A sessions and Workshops, respectively.

• Final mark is based on the oral examination (67%) and results of tests taken during the course (33%). Oral examination takes place during the examination period and students must first obtain the credit for workshops. Credit for workshops is based on the solution of take-home exercises (34%) and two tests (midterm and final, each 33%).

Syllabus

Last update: RNDr. Kateřina Ušelová, Ph.D. (31.01.2022)

Chemical Principles - 1st year, winter term

12 weeks, weekly: 2h lecture, 1h Q&A seminar, 2h workshop

• Week 1: How to study chemistry

Studying chemistry, course overview; Chemistry within science, time-line; Units, symbols - general rules;

Scientific method

• Week 2: Mater and energy

Definition and history; Standard model - elementary particles (very light introduction); Bosons and fermions;

Energy-matter equivalence; Structure of atom nucleus; Radioactivity

• Week 3: Quantum world - light introduction

Discovery of electron; Black body radiation; Photoelectric effect; Rutherford’s experiment

Dual character of light, de Broglie relationship; Uncertainty principle; Schrödinger equation; Bohr model;

Axiomatic character of quantum mechanics; Particle in the box; Hydrogen-like atoms - orbitals; Hydrogen -

absorption and emission spectra

Many-electron atoms; Electron spin; Orbital energies, Building-up principles; Periodic table

• Week 4: Chemical bond

Electron densities; Electron octet; Bonding types; QM interpretation of chemical bond; Born-Oppenheimer

approximation; Potential energy Surface & dissociation curve; H2+ molecule; Orbital overlap; From atomic to

molecular orbitals; Interaction diagrams; H2 molecule

Covalent, ionic and polar bonds; Hybridization; Weak intermolecular interactions; Ar2 “molecule”; Electronic

structure of solids; Low-dimensional materials

Shape of molecules; Light VSEPR

• Week 5: Spectroscopy

Electric and magnetic properties of matter; Interaction of light with matter; Refraction; Optical activity; Diffraction -

scattering - absorption - emission

Rotational spectra; Vibrational spectra; Raman spectra

Nuclear magnetic resonance

• Week 6: Gas vs. Condense Phases

Ideal gas - gas laws; Atomistic interpretation of gas properties; Diffusion and Effusion, Graham’s law; Light

kinetic theory of gases; Maxwell-Boltzmann distribution of velocities; Mean free path; Energy distribution; Real

gases, compressibility, vdW equation; Condensation

Structure of liquids; Radial distribution function; Surface tension

Amorphous vs. crystalline solids; Crystal types; Isomorphism and Polymorphism; Phase diagram; Solid

Surface;

• Week 7: Reaction kinetics

PES; Reaction path and reaction profile; Transition state and activation energy; Elementary reaction; Reaction

mechanism; Classification of chemical reactions; Reaction kinetics; Reaction rate; Guldberg-Waag law;

Reactions of 1st, 1nd and 0th order; Models of chemical reactions; Catalysis

• Week 8: Thermodynamics I

Energy, work and heat; Thermodynamic systems; Intensive/extensive properties; Thermodynamic equilibrium;

Temperature; Light statistical TD; Boltzmann energy distribution; Pressure-volume work; (I)reversible

processes; 1st law of TD; Joule’s experiment; Heat capacity; Enthalpy, Thermochemistry, Hess’ law; Standard

heats of combustion/formation;

• Week 9: Thermodynamics II

Adiabatic expansion of ideal gas; Poisson equation; 2nd law of TD; Entropy; Carnot’s cycle; Free energies;

Absolute zero;

• Week 10: Equilibrium I

Chemical potential; Fugacity and activity; Gibbs phase law; Phase equilibrium and phase diagram; Gas-liquid

coexistence; Henry’s and Rault’s laws; Isothermic and isobaric phase diagrams; Distillation;

• Week 11: Equilibrium II

Liquid-solid coexistence; Solubility; Colligative properties; Equilibrium at the phase boundaries; Physisorption,

chemisorption, adsorption isotherm

Chemical equilibrium; van’t Hoff reaction isotherm; Equilibrium constant Le Chatelier’s principle

• Week 12: Solutions

Electrolytes; Acids and bases; pH; Hydrolysis; Salts; Buffering; Solvation and hydration shells; Ideal and real

electrolytes; Theory of strong electrolytes