進階物理化學(二)

The outline of the class This is an advanced course in physical chemistry focusing on basic and important concepts of quantum theory and quantum chemistry. This course intends to provide a smooth transition from a macroscopic point of view (classical view) to a microscopic point of view (quantum view). The concepts are applied to understanding quantum mechanical descriptions of the elementary motions of molecules and those of the electrons in chemical bonding. The objective of the class The aims of the lecture are to understand how to answer the following questions 1. How do a molecule and its electrons behave in the microscopic world? 2. What the nature of chemical bonding? On completing the course, students should be able to visualize the following concepts, in particular, the fundamental concepts of quantum theory and the application to quantum chemistry, and their relationship with molecules and atoms. The course consists of the following lectures. 1. The macroscopic world We review both the classical mechanics of a particle and classical waves and identify the characteristics of a particle and a wave. 2. Particle-wave duality and quantum mechanics of elementary motions of molecules. We discuss the experimental evidence of the existence of Particle-wave duality. By making an assumption that is needed for entering the quantum world, we look for the Schrodinger equation. We discuss a quantum mechanical description of elementary motions of molecules. 3. Chemical bonding and Intermolecular interactions We discuss the electronic structure of hydrogen atom. We then discuss the origin of chemical bonding based on the application of quantum mechanics to molecules. Furthermore, we also discuss intermolecular interactions that play an important role in a wide range of areas: physics, chemistry, biology, material science, etc. This lecture will provide a quick tour to learn the fundamental aspects and applications of intermolecular interactions. 4. Molecular theory of spectroscopy We review molecular spectroscopy in terms of quantum mechanics and chemistry theories and discuss how to interpret experimentally observed spectral data.

The class requirement No pre-required information is necessary.

References 1. Donald McQuarrie, John D. Simon Physical Chemistry A Molecular Approach (University Science Books) 2. Donald McQuarrie Quantum Chemistry (University Science Books)