Infrared Spectroscopy of Triatomics for Space Observation

Description

Cover; Half-Title Page; Title Page; Copyright Page; Contents; Foreword; Preface; 1. Symmetry of Triatomic Molecules; 1.1. Introduction; 1.2. The symmetry group of the Hamiltonian of a triatomic molecule; 1.3. Symmetry of the nonlinear triatomic molecule (O3); 1.3.1. The nonlinear asymmetric molecule O3 (16O16O18O (668)); 1.3.2. The nonlinear symmetric molecule O3 (16O16O16O (666)); 1.3.3. Symmetry of eigenstates of a nonlinear molecule; 1.4. Symmetry of the linear triatomic molecule (CO2); 1.4.1. The linear asymmetric molecule CO2 (16O12C18O (628));"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."--Provided by publisher. Cover Half-Title Page Title Page Copyright Page Contents Foreword Preface 1. Symmetry of Triatomic Molecules 1.1. Introduction 1.2. The symmetry group of the Hamiltonian of a triatomic molecule 1.3. Symmetry of the nonlinear triatomic molecule (O3) 1.3.1. The nonlinear asymmetric molecule O3 (16O16O18O (668)) 1.3.2. The nonlinear symmetric molecule O3 (16O16O16O (666)) 1.3.3. Symmetry of eigenstates of a nonlinear molecule 1.4. Symmetry of the linear triatomic molecule (CO2) 1.4.1. The linear asymmetric molecule CO2 (16O12C18O (628)) 1.4.2. The linear symmetric molecule CO2 (16O12C16O (626))1.5. Selection rules 1.5.1. Symmetry of the eigenstates of a triatomic molecule taking into account the nuclei spins 2. Energy Levels of Triatomic Molecules in Gaseous Phase 2.1. Introduction 2.2. Vibrational-rotational movements of an isolated molecule 2.3. Vibrational movements of an isolated triatomic molecule 2.3.1. Nonlinear triatomic molecules 2.3.2. Linear triatomic molecules 2.3.3. Introduction of the perturbative Hamiltonians H1, H2, H3 ... 2.3.4. Transitions between two vibrational levels: selection rules 2.4. Rotational movement of an isolated rigid molecule2.4.1. Linear triatomic molecules 2.4.2. Symmetric top molecule 2.4.3. Nonlinear triatomic molecules 2.4.4. Transitions between rotational levels 2.5. Vibrational-rotational energy levels of an isolated triatomic molecule 2.6. Rovibrational transitions: selection rules 2.6.1. Dipole moment in terms of normal coordinates 2.7. Appendices 2.7.1. Rotational matrix 2.7.2. Perturbative Hamiltonians of vibration and vibration-rotation coupling 2.7.3. Components of the angular momentum →J 2.7.4. Rotational Hamiltonian of a symmetric top 2.7.5. Elements of the rotational matrix2.7.6. Vibrational anharmonic constants 3. Clathrate Nano-Cages 3.1. Introduction 3.2. Clathrate structures 3.3. Inclusion model of a triatomic molecule in a clathrate nano-cage 3.3.1. Inclusion model 3.3.2. Interaction potential energy 3.4. Thermodynamic model of clathrates 3.4.1. Occupation fractions and Langmuir constants 3.4.2. Determination of the Langmuir constants 3.4.3. Application to triatomic molecules 3.5. Infrared spectrum of a triatomic in clathrate matrix 3.5.1. Infrared absorption coefficient 3.5.2. Hamiltonian of the system and separation of movements3.5.3. Vibrational motions 3.5.4. Orientational motion 3.5.5. Translational motion 3.5.6. Bar spectra 3.6. Application to the CO2 molecule 3.6.1. Vibrational motions 3.6.2. Orientational motion 3.6.3. Translational motion 3.6.4. Bar spectra 3.7. Appendices 3.7.1. Non-zero orientation matrix elements used to calculate the corrections to first-order perturbation energies 3.7.2. Correction to eigenenergies of the orientation Hamiltonian