Azzedine Lakhlifi - Böcker

This book describes different theoretical models developed to identify the near and mid infrared (IR) spectra of diatomic molecules isolated in the gas phase or subjected to environmental constraints, useful for the study of environmental sciences, planetology and astrophysics. The applications presented show how molecular interactions modify the near and mid IR spectra of isolated diatomics under the effect of pressure, a nano-cage (substitution site, Clathrate, Fullerene, Zeolite) or surfaces, to identify the characteristics of the perturbing environment.

This book is dedicated to the application of the different theoretical models described in Volume 1 to identify the near-, mid- and far-infrared spectra of linear and nonlinear triatomic molecules in gaseous phase or subjected to environmental constraints, useful for the study of environmental sciences, planetology and astrophysics. The Van Vleck contact transformation method, described in Volume 1, is applied in the calculation and analysis of IR transitions between vibration–rotation energy levels. The extended Lakhlifi–Dahoo substitution model is used in the framework of Liouville’s formalism and the line profiles of triatomic molecules and their isotopologues subjected to environmental constraints are calculated by applying the cumulant expansion. The applications presented in this book show how interactions at the molecular level modify the infrared spectra of triatomics trapped in a nano-cage (substitution site of a rare gas matrix, clathrate, fullerene, zeolite) or adsorbed on a surface, and how these interactions may be used to identify the characteristics of the perturbing environment.

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.