Physical Chemistry V: Spectroscopy

Abstract

thermal radiation and Planck's law; transition probabilities, rate equations;atomic structure and spectraelectronic, vibrational, and rotational spectroscopy of moleculessymmetry, group theory, and selection rules

Objective

When you successfully finished this course, you are able to analyze and interpret electronic spectra of atoms and rotational, vibrational as well as electronic spectra of molecules. In particular, you will be able * to determine the term symbols of the states of atoms, as well as diatomic and polyatomic molecules * to explain the theoretical steps that are needed to separate the motions of nuclei and electrons (Born-Oppenheimer approximation) as well as rotations and vibrations of the nuclear motion (normal-mode approximation), * to use group theory as tool in spectroscopy, e.g. to classify rotational modes according to symmetry and predict their spectroscopic activity, to construct symmetry-adapted molecular orbitals, and to use the symmetry of states to derive selection rules of molecules, * to use a quantum-mechanical picture to explain intensities of vibrational progressions of an electronic spectrum (Franck-Condon factors), and * to determine selection rules for spectroscopic transitions based on a qualitative evaluation of the dipole matrix element.

Content

Basics: thermal radiation, Planck's law transition probabilities rate equations Einstein coefficients and lasers Atomic and molecular spectroscopy: tools to evaluate the transition matrix elements which describe atomic and molecular spectra quantum-mechanically, in particular - selection rules and symmetry/group theory : separation of electrons and nuclei (Born-Oppenheimer approximation) - separation of vibrations and rotations (normal mode approximation) and how to use these tools to understand and predict spectra qualitatively

Resources