First cycle
degree courses
Second cycle
degree courses
Single cycle
degree courses
School of Science
MATERIALS SCIENCE
Course unit
PHYSICAL CHEMISTRY 2
SC01101276, A.A. 2019/20

Information concerning the students who enrolled in A.Y. 2017/18

Information on the course unit
Degree course First cycle degree in
MATERIALS SCIENCE
SC1163, Degree course structure A.Y. 2008/09, A.Y. 2019/20
N0
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Number of ECTS credits allocated 8.0
Type of assessment Mark
Course unit English denomination PHYSICAL CHEMISTRY 2
Department of reference Department of Chemical Sciences
Mandatory attendance No
Language of instruction Italian
Branch PADOVA
Single Course unit The Course unit can be attended under the option Single Course unit attendance
Optional Course unit The Course unit can be chosen as Optional Course unit

Lecturers
Teacher in charge MORENO MENEGHETTI CHIM/02

ECTS: details
Type Scientific-Disciplinary Sector Credits allocated
Core courses CHIM/02 Physical Chemistry 8.0

Course unit organization
Period First semester
Year 3rd Year
Teaching method frontal

Type of hours Credits Teaching
hours
Hours of
Individual study
Shifts
Practice 1.0 10 15.0 No turn
Lecture 7.0 56 119.0 No turn

Calendar
Start of activities 30/09/2019
End of activities 18/01/2020
Show course schedule 2019/20 Reg.2008 course timetable

Syllabus
Prerequisites: It is suggested to have passed the following examinations: Mathematics 2, General Physics 1 and 2 )for the particle motion, elctric, magnetic and electromagnetic fields), Quantum Physics introduction to quantomechanics and the Hamiltonians solved analytically).
Target skills and knowledge: Students will acquire the principles of Quantum Mechanics for the descritpion of molecules and of their properties. On this basis she/he will acquire the principles of optic and magnetic spectroscopies. Statistical mechanics priciples will be introduced.
Examination methods: The examination will be based on a written (4-5 open questions and 2 exercises) and an oral test. The written test will last one hour.
Assessment criteria: Students have to show the ability of using the priciples of Quantum Mechanics to describe molecular properties. Furthemore she/he will be able to apply these principles to the description of the interaction between electromagnetic fields and molecular systems and how the properties of molecules ensemble can be described statistically.
Course unit contents: Basic of Quantum Mechanics and of multielectron systems. Spin-orbit coupling and selection rules. Quantum mechanics of molecules. Born-Oppenheimer approximation. Valence bond theory for homonuclear and etheronuclear diatomic molecules and for polyatomic molecules. Hybrid orbitals. Molecular orbital theory for polyatomic molecules. Huckel approximation. Mean field molecular quantum calculations. Hartree-Fock approach. Semiempirical and ab-initio calculations. Configuration interaction as post Hartree-Fock approach. Density functional Theory.
Molecular symmetry. Point symmetry groups and classification of the molecular symmetries. Matrix representation of the molecular symmetry operations. Reducible and irreducible representations of the point groups. Characters and tables of characters. Reduction of reducible representations. Symmetry adapted linear combinations of functions with given symmetry. Symmetry of product of functions. Vanishing integrals. Symmetry classification of vibrational modes.
Spectroscopies. Time independent and dependent perturbation theory. Interaction with electromagnetic fields and transition dipole moments. Principles for absorption, emission and scattering tecniques. Fourier transform techniques. Absorption intensity and its relation to the transition dipole moment. Lambert Beer law. Einstein coefficients. Selection rules for transitions.
Rotational energetic levels and selection rules for rotational spectra.
Diatomic molecules vibrational spectra. Selection rules for absorption spectra and anharmonicity. Normal modes of vibrations for polyatomic molecules. Absorption and Raman vibrational spectra of polyatomic molecules.
Electronic spectroscopy. Vibrational structure and Frank-Condon factors. Electronic spectra of polyatomic molecules. Not allowed transitions and their vibronic activation. Fluorescence and Phosphorescence. Principles of lasers and pulsed lasers action.
Magnetic spectroscopies. Magnetic field influence of the electronic and nuclear spins. Nuclear spin energies in a magnetic field. NMR spectrometers. Chemical shift. Sheilding constants origin. Fine structure of the NMR spectra. Pulsed techniques in bidimensional NMR. Mention of the 2D NMR techniques. Electron paramagnetic resonance (EPR). Hyperfine structure of the EPR spectrum and its origin.
Introduction to Statistical thermodynamcis.Boltzman distribution. Molecular partition function. Molecular internal energy and entropy. The canonical partition function. Internal energy and entropy of a canonical ensemble. Other thermodynamic functions: Enthalpy, and Gibbs and Helmholtz free energies. Translational, rotational, vibrational and electronic contributions to the molecular partition function. Statistical Thermodynamics applications: equation of state and equilibrium constants.
Planned learning activities and teaching methods: Frontal lessons also for exercises. It will be given large possibilities to questions for a guided advancement of the arguments comprehension.
Additional notes about suggested reading: The suggested textbook also reports many solved exercises which are very important for understanding the subject. A parallel textbook reports all the complete solutions for all the exercises.
Textbooks (and optional supplementary readings)
  • P. Atkins and J. De Paula, Physical Chemistry 11th edition. --: Oxford University Press, --. Cerca nel catalogo

Innovative teaching methods: Teaching and learning strategies
  • Lecturing
  • Problem based learning
  • Case study
  • Interactive lecturing
  • Questioning

Innovative teaching methods: Software or applications used
  • Matlab

Sustainable Development Goals (SDGs)
Quality Education Gender Equality Affordable and Clean Energy