COURSE UNIT TITLE

: ADVANCED PHYSICAL CHEMISTRY

DEGREE PROGRAMMES

Description of Individual Course Units

Course Unit Code Course Unit Title Type Of Course D U L ECTS
KIM 5003 ADVANCED PHYSICAL CHEMISTRY ELECTIVE 3 0 0 8

Offered By

Graduate School of Natural and Applied Sciences

Level of Course Unit

Second Cycle Programmes (Master's Degree)

Course Coordinator

Offered to

Chemistry
Chemistry
Chemistry

Course Objective

Introduction and principles of quantum theory will be described in the first chapter. Techniques and applications of theory will be discussed. Atomic structure and atomic spectra will be outlined in detail. Molecular structure of hydrogenmolecule-ion, the structures of di- and polyatomic molecules will also be emphesized in detail.

Learning Outcomes of the Course Unit

1   The students will be able to: demonstrate an in depth understanding of a range of topics reflecting research led developments in physical chemistry;
2   solve numerical problems based around mathematical models and equations in quantum chemistry; critically analyse research papers in primary journals reflecting the topics taught;
3   critically discuss the application of physical chemistry and quantum chemistry to a range of atomic structure and atomic spectra;
4   Skills Learning Outcomes: Problem solving; demonstrate an ability to carry out computer based literature searches related with quantum chemistry;
5   demonstrate an ability to carry out independent study on specialised topics in molecular structure and carry out a critical evaluation in polyatomic molecules;

Mode of Delivery

Face -to- Face

Prerequisites and Co-requisites

None

Recomended Optional Programme Components

None

Course Contents

Week Subject Description
1 Quantum Theory: Introduction and Principles Classical mechanics The equations of classical physics; The failures of classical physics; The dynamics of microscopic systems; The Schrödinger equation; The interpretation of the wavefunction
2 Quantum mechanical principles Operators and observables; Superpositions and expectation values Further reading, Exercises, Problems
3 Quantum Theory: Techniques and Applications Translational motion; The particle in a box; Motion in two dimensions; Tunnelling
4 Vibrational motion ( The energy levels, The wavefunctions); Rotational motion ( Rotation in two dimensions; Rotation in three dimensions), Spin; Further information: 1. The Harmonic Oscillator, 2. Rotational Motion, Exercises, Problems
5 Atomic Structure and Atomic Spectra; The structure and spectra of hydrogenic atoms The structure of hydrogenic atoms; Atomic orbitals and their energies; Spectral transitions and selection rules; The structures of many electron atoms (The orbital approximation, Self-consistent field orbitals)
6 The spectra of complex atoms (Singlet and triplet states, Spin-orbit coupling, Term symbols and selection rules, The effect of magnetic fields) Further information: 1. Center of mass coordinates, 2. The Pauli principle; Further reading, Exercises, Problems
7 Midterm
8 Molecular Structure (The hydrogen molecule-ion) (The Born-Oppenheimer approximation; The molecular orbital approximation); The structures of diatomic molecules (The hydrogen and helium molecules; Period-2-diatomic molecules; Heteronuclear diatomic molecules)
9 The structures of polyatomic molecules ( Walsh diagrams; Orthogonality and hybridization); Delocalized systems ( The Hückel approximation; The band theory of solids) Further reading, Exercises, Problems
10 Rotational and Vibrational Spectra: General features of spectroscopy (Experimental techniques; The intensities of spectral lines; Linewidths)
11 Pure rotational spectra (The rotational energy levels; Rotational transitions; Rotational Raman spectra
12 The vibrations of diatomic molecules (Molecular vibrations; The vibrational spectra of diatomic molecules; Vibration-rotation spectra; Vibrational Raman spectra of diatomic molecules) Further reading, Exercises, Problems
13 General Evaluation and Make-up
14 Homework discussions and presentations

Recomended or Required Reading

1. P.W. Atkins, Physical Chemistry, Oxford Univ. Press, 10th. Ed., Oxford, Melbourne, Tokyo, 2008.
2. Y. Sarıkaya, Fizikokimya, Gazi Büro Kitapevi, 6. Baskı Ankara, 2005.
3. Attila Szabo, Neil S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry),Dover Publications; New edition edition (July 2, 1996).
4. Robert J. Silbey, Robert A. Alberty and Moungi G. Bawendi, Physical Chemistry, Wiley; 4 edition (July 1, 2004).

Planned Learning Activities and Teaching Methods

Fourteen, three-hour lectures backed up with one midterm examination and one workshop and interactive presentations.
All the didactic material is preliminary available to the student both in paper and electronic form. The books used to prepare the lectures are available at the Library of the University. Further data and/or information may be obtained consulting the Library of the University also using the new wireless network.

Assessment Methods

SORTING NUMBER SHORT CODE LONG CODE FORMULA
1 MTE MIDTERM EXAM
2 ASG ASSIGNMENT
3 PRS PRESENTATION
4 FIN FINAL EXAM
5 FCG FINAL COURSE GRADE MTE* 0.30 + ASG * 0.20 + PRS * 0.10 + FIN * 0.40
6 RST RESIT
7 FCGR FINAL COURSE GRADE (RESIT) MTE* 0.30 + ASG * 0.20 + PRS * 0.10 + RST * 0.40


*** Resit Exam is Not Administered in Institutions Where Resit is not Applicable.

Further Notes About Assessment Methods

None

Assessment Criteria

Midterm(%30)+ Homework(%20)+Presentation(%10)+Final exam(%40)

Language of Instruction

English

Course Policies and Rules

Students will attend 14 tutorials and 1 workshop on the material covered in this course. Attendance is compulsory at both till %70, but the rules for the attendence up to the students and can be obtained from the web site of Graduate School of Sciences at http://www.fbe.deu.edu.tr/.

Contact Details for the Lecturer(s)

Prof. Dr. Mehmet Kadir Yurdakoç
Dokuz Eylül University, Faculty of Science, Department of Chemistry
Phone: (232) 3018695
E-mail: k.yurdakoc@deu.edu.tr

Office Hours

Wednesdays 5,6

Work Placement(s)

None

Workload Calculation

Activities Number Time (hours) Total Work Load (hours)
Lectures 13 3 39
Tutorials 7 1 7
Preparations before/after weekly lectures 13 3 39
Preparation for midterm exam 1 25 25
Preparation for final exam 1 40 40
Preparing assignments 1 25 25
Preparing presentations 1 25 25
Midterm 1 2 2
Final 1 2 2
TOTAL WORKLOAD (hours) 204

Contribution of Learning Outcomes to Programme Outcomes

PO/LOPO.1PO.2PO.3PO.4PO.5PO.6PO.7PO.8PO.9PO.10PO.11
LO.13
LO.24
LO.33
LO.43
LO.52

CONTACT INFORMATION
Dokuz Eylül Üniversitesi Cumhuriyet Bulvarı No: 144 35210 Alsancak / İZMİR
Phone: +90(232) 412 12 12 - Fax: +90 (232) 464 81 35

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