This book is dedicated to the description and application of various different theoretical models to identify the near and mid-infrared spectra of symmetric and spherical top molecules in their gaseous form.
Theoretical models based on the use of group theory are applied to rigid and non-rigid molecules, characterized by the phenomenon of tunneling and large amplitude motions. The calculation of vibration-rotation energy levels and the analysis of infrared transitions are applied to molecules of ammonia (NH3) and methane (CH4).
The applications show how interactions at the molecular scale modify the near and mid-infrared spectra of isolated molecules, under the influence of the pressure of a nano-cage (the substitution site of a rare gas matrix, clathrate, fullerene or zeolite) or a surface, and allow us to identify the characteristics of the perturbing environment.
This book provides valuable support for teachers and researchers but is also intended for engineering students, working research engineers and Master’s and doctorate students.
1. Group Theory inInfrared Spectroscopy.
2. Symmetry of Symmetric and Spherical Top Molecules.
3. Line Profiles, Symmetries and Selection Rules According to Group Theory.
4. Energy Levels of Symmetric Tops in the Gas Phase.
5. Spherical Top CH4.
Pierre Richard Dahoo is Professor and Holder of the Chair Materials Simulation and Engineering at the University of Versailles Saint-Quentin in France. He is Director of Institut des Sciences et Techniques des Yvelines and a specialist in modeling and spectroscopy at the LATMOS laboratory of CNRS.
Azzedine Lakhlifi is Senior Lecturer at the University of Franche-Comté and a researcher, specializing in modeling and spectroscopy at UTINAM Institute, UMR 6213 CNRS, OSU THETA Franche-Comté Bourgogne, University Bourgogne Franche-Comté, Besançon, France.
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