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Physical chemistry 1

Code: 41009
ECTS: 8.0
Lecturers in charge: prof. dr. sc. Tomica Hrenar - Lectures
Lecturers: Domagoj Fijan - Seminar
Karlo Sović - Seminar
Take exam: Studomat
Load:

1. komponenta

Lecture typeTotal
Lectures 60
Seminar 45
* Load is given in academic hour (1 academic hour = 45 minutes)
Description:
Introductory overview of physical chemistry: breakdown of classical physics, black body radiation, photoelectric effect, models of atoms. Quantum mechanics: uncertainty principle, postulates, basic theorems, particle in a box, harmonic oscillator. Quantum chemistry: hydrogen atom, atomic orbitals, spin, many-electron atoms, SCF, Pauli principle; atomic spectra, Born-Oppenheimer approximation, variation principle, Heitler-London approach, molecular orbital approach, correlation diagram, hybridization, ?-electron theory (HMO), electronic structure of crystals, ligand-field theory, Molecular spectroscopy: interaction of matter and radiation; absorption, emission and scattering; selection rules, experimental spectroscopic techniques, molecular rotations and rotation spectra, molecular vibrations, rotational structure of bands, IR spectra, electronic spectra, vibronic transitions, Franck-Condon principle, luminescence, lasers, photoelectron spectra, magnetic resonances, NMR and EPR, Thermodynamics: properties of gases, ideal and real gases, equations of state kinetic theory of gases, molecular velocoties and speeds, collisions, statistical mechanics, Boltzmann distribution, partition functions, thermodynamics and temperature, thermometry. First law: internal energy, heat, work, enthalpy, reaction enthalpies, thermochemistry, temperature dependence of reaction enthalpies. Second law: concept of entropy, Gibbs function.
LEARNING OUTCOMES:
1. Explain breakdown of classical physics: photoelectrical effect, atomic spectra, and black body radiation.
2. Specify and explain postulates of quantum mechanics.
3. Apply postulates of quantum mechanics, write out Schrödinger equations, explain and compare solutions for following systems: particle in one dimensional box, free particle, particle in rectangular well, particle in three dimensional box, quantum mechanical harmonic oscillator.
4. Write out Schrödinger equation for hydrogen atom and hydrogenlike atoms. Explain and compare solutions and effects in many electron atoms.
5. Write out Schrödinger equation for molecules, explain Born-Oppenheimer approximation and variational principle. Define molecular orbitals, hybridization and ligand field theory.
6. Explain absorption, stimulated and spontaneous emission as well as scattering of electromagnetic radiation.
7. Explain and associate phenomena in rotational, vibrational, electronic, EPR and NMR spectra with structure and properties of molecules.
8. Explain properties of ideal and real gases, equations of states and kinetic theory of gases, Boltzmann low and partition functions.
9. Specify and explain first and the second law of thermodynamics.
10. Define and explain internal energy, heat, work, enthalpy, extent of reaction, Gibbs free energy and entropy.
11. Present adequate skills in technical writing and oral presentations.
Literature:
  1. 1. P. W. Atkins, J. de Paula, Elements of physical chemistry, 4. izd., Oxford University Press, Oxford 2005.
    2. P. W. Atkins, Atkins' Physical chemistry, 8. izd., Oxford University Press, Oxford, 2006.
    3. R.J. Silbey, R. A. Alberty, M. G. Bawendi, Physical chemistry, 4. izd., Wiley, New York 2004.
    4. T. Engel, Ph. Reid, Physical Chemistry, Pearson Education, San Francisco 2006.
    5. J. Herak, Uvod u kemijsku fiziku, Školska knjiga, Zagreb 2001.
    6. T. Cvitaš, Fizikalna kemija, rkp. u pripremi i dijelom dostupan u SKK i kao ftp download.
    7. Vl. Simeon, Termodinamika, rkp. u pripremi i dijelom dostupan u SKK.
    8. T. Cvitaš, I. Planinić, N. Kallay, Rješavanje računskih zadataka u kemiji, I i II dio, Hrvatsko kemijsko društvo, Zagreb 2008.
  2. P. Atkins, Physical Chemistry, 5. izd., Oxford Univ. Press, Oxford 1986. {Može se rabiti 3. izd. ili bilo koje kasnije izdanje}
  3. R. S. Berry, S. A. Rice & J. Ross, Physical Chemistry, 2. izd., Oxford University Press, New York ? Oxford 2000.
  4. T. Cvitaš, Fizikalna kemija, rkp. {primjerak za studentsku uporabu nalazi se u CKB [c/o Branka Maravić]}
  5. Vl. Simeon, Termodinamika, Školska knjiga, Zagreb, 1980.
  6. Vl. Simeon, Kemijska termodinamika, 2. izd. [st80], rkp. {primjerak za studentsku uporabu nalazi se u CKB [c/o Branka Maravić]}
  7. Vl. Simeon i V. Tomišić, Kem. Ind. 45 (1996) 61
Prerequisit for:
Enrollment :
Passed : Mathematics 1
Passed : Physics 2

Examination :
Passed : Mathematics 2
3. semester
Mandatory course - Mandatory studij - Chemistry
Consultations schedule: