Course Information

Course Name	Turkish	Atom ve Molekül Yapısına Giriş
	English	Int. Atomic & Molec. Str.
Course Code	KIM 262E	Credit	Lecture (hour/week)	Recitation (hour/week)	Laboratory (hour/week)
Semester	-	3	3	-	-
Course Language		English
Course Coordinator		Nurcan Tüzün
Course Objectives		1. To give a solid understanding of the physical and mathematical aspects of quantum mechanics at the introductory level 2. To teach how to approach chemical problems by using the laws of the quantum mechanics 3. To teach the methods to study atomic and molecular electronic structure and their relation to spectroscopy
Course Description		Overview of the mathematical background required to follow the course ( operators, complex numbers, differential equations), Schrödinger equation and its solution for simple model system (particle in a box problem), the concept of energy quantization, Quantum mechanical treatment of the nuclear motions ( vibration and rotation) of diatomic molecules, the understanding of the relationship between the molecular properties ( bond strength, bond length) and the IR, microwave frequencies, The study of the results obtained from the solution of the Schrödinger equation for a real system -Hydrogen atom-, the orbital concept, Hydrogen-like ions, Many electron atoms, Born-Oppenheimer approximation, Helium atom, Variation principle, The electronic structure of diatomic molecules
Course Outcomes		1. To be able to understand and explain the absorption lines in atomic spectrum using the concept of energy quantization 2. To recognize quantum mechanical operators and write the total energy operator for simple systems 3. To be able to write and solve one dimensional Schrödinger equation. 4. To get acquainted with the main concepts of quantum mechanics, like wavefunction, normalization, energy degeneracy, tunnelling.. 5.To be able to write the Schrödinger equation for nuclei movement like vibration and rotation for diatomic molecules and to be able to understand and use the wavefunctions and energies from their solution. 6. To build up a relationship between the experimental frequencies, spectroscopic techniques and how they are used. 7. To understand that the orbital concept is a mathematical function and it is the eigenvalue obtained from the quantum mechanical solution. 8. To be able to calculate the distance of electron from the nucleus and recognize the spherical harmonics which determine the shape of the orbital. 9. To learn and calculate the concept of electron density. 10. To be able to build a relationship between molecular and atomic orbitals and be able to mathematically define chemical bond. 11. To build a relationship between the molecular properties and electronic structure. 12. To learn and use the variation method which is the basis for Computational chemistry, for the cases which do not allow the exact solution of the Schrödinger equation. 13. To conceive the Molecular Orbital Theory and calculate the molecular properties with Hückel Molecular Orbital method which is applicable to conjugated organic molecules.
Pre-requisite(s)		(KIM111/KIM111E MIN DD) and (FIZ 101/FIZ 101E MIN DD) and (MAT201/MAT 201E MIN DD)
Required Facilities
Other
Textbook		Physical Chemistry, P.W. Atkins, Oxford Uni. Press, 5th Edition, 1994 Quantum Mechanics for Chemists, David O. Hayward, RS.C, 2002
Other References		Physical Chemistry, Ira N. Levine, Mc Graw Hill, 5th Edition, 2002 All Physical Chemistry and Quantum Chemistry Books

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