Gas-Phase Chemistry in Space: Harvard Global Health Catalyst summit lecture notes

PRELIMS.pdf
Preface
Acknowledgements
About the Editors
François Lique
Alexandre Faure
Contributors
CH001.pdf
Chapter 1 The Chemistry of the Early Universe
1.1 Cosmological Background
1.1.1 Energy Exchanges: Radiation and Matter Temperatures
1.2 Big Bang Nucleosynthesis
1.3 The Recombination Era
1.4 Chemistry
1.4.1 Chemical Models
1.4.2 Formation and Destruction Processes
1.4.3 Recent Developments in Chemical Modeling
1.4.4 Non-standard Kinetics
1.4.5 Cooling Functions
1.5 Conclusions
References
CH002.pdf
Chapter 2 Nucleosynthesis: The Origin of the Chemical Elements
2.1 Introduction
2.2 Nuclei in the Cosmos
2.2.1 Solar and Cosmic Abundances
2.2.2 Cosmic Abundances versus Nuclear Properties
2.2.3 Overview of Nucleosynthesis
2.3 Primordial Nucleosynthesis: from H to He
2.3.1 Thermodynamics of the Early Universe
2.3.2 BBN: Results and Comparison to Observations
2.4 Stars: from the Main Sequence to Red Giants
2.4.1 Basic Stellar Properties
2.4.2 H burning on the Main Sequence
2.4.3 He burning in Red Giants
2.5 Advanced Evolution of Massive Stars
2.5.1 Neutrino Losses Accelerate Stellar Evolution
2.5.2 C, Ne, and O burning
2.5.3 Si melting and Nuclear Statistical Equilibrium (NSE)
2.5.4 Overview of the Advanced Evolutionary Phases
2.6 Explosive Nucleosynthesis in Supernovae
2.6.1 Main Properties and Classification of Supernovae
2.6.2 Explosive Nucleosynthesis in Core-collapse Supernovae
2.6.3 Explosive Nucleosynthesis in Thermonuclear SN
2.6.4 Production of Intermediate-mass Nuclei (From C to Fe peak)
2.7 The Heavier-than-Fe Nuclei
2.7.1 Production Mechanisms and Classification of Isotopes
2.7.2 The s-process
2.7.3 The r-process
2.8 Summary
References
CH003.pdf
Chapter 3 Gas-phase Chemistry: Reactive Bimolecular Collisions
3.1 Introduction
3.2 Basics in Bimolecular Reaction Kinetics
3.2.1 Interaction Potential—Potential Energy Surface
3.2.2 Cross Sections and Thermal Rate Coefficients
3.2.3 Reaction Mechanisms
3.2.4 Thermodynamic Considerations
3.2.5 Temperature Dependence of the Thermal Rate Coefficients
3.3 Experimental Methods
3.3.1 Total Thermal Rate Coefficient Determination
3.3.2 Reaction Product Identification and Branching Ratios
3.4 Theoretical Methods
3.4.1 Quantum Calculations
3.4.2 Semi-classical and Statistical Calculations
3.5 Some Perspectives
References
CH004.pdf
Chapter 4 Radiative Processes in Astrophysical Molecules
4.1 Introduction
4.2 Radiative Transitions
4.2.1 Photodissociation
4.2.2 Bound–bound Einstein Coefficients
4.2.3 Radiative Association
4.3 Non-radiative Transitions
4.3.1 One Dissociative State: Direct Photodissociation
4.3.2 One Bound State Coupled to Several Dissociative States: Predissociation
4.3.3 Small-large Molecule Limits
4.4 Methods
4.4.1 Time-independent Close Coupling equations
4.4.2 Wave Packet Method
4.5 Electronic Structure Calculations
4.5.1 Excited Electronic States
4.5.2 Transition Dipole Moments
4.5.3 Non-adiabatic Couplings
4.5.4 Diabatization and Quasi-diabatization
4.6 Examples
4.6.1 CO
4.6.2 HCN
4.6.3 H2CO
4.7 Appendix: Matrix Elements of the G(E) Operator
4.8 Appendix: Numerical Method for Close Coupling Equations
Matrix Elements
References
CH005.pdf
Chapter 5 Electron Collision Processes
5.1 Introduction
5.2 Fundamental Processes
5.2.1 Elastic Scattering
5.2.2 Rotational Excitation
5.2.3 Vibrational Excitation
5.2.4 Electronic Excitation
5.2.5 Impact Dissociation
5.2.6 Dissociative Electron Attachment
5.2.7 Dissociative Recombination
5.2.8 Electron Impact Ionization
5.2.9 Electron Impact Dissociative Ionization
5.3 Methodology
5.4 Astrophysical Examples
5.4.1 Dissociative Recombination of H3+
5.4.2 Electron-impact Excitation of Water
5.4.3 Electron-impact Rotational Excitation of Molecular Ions: HCO+ and ArH+
5.4.4 Electron-impact Rotational Excitation of CN
5.4.5 Electron-impact Rotational Excitation of CH+
5.5 Sources of Data
References
CH006.pdf
Chapter 6 Molecular Spectroscopy of Astrophysical Molecules
6.1 Introduction
6.2 Molecular Spectroscopy in a Nutshell: Diatomic Molecules
6.2.1 Vibrational States
6.2.2 Rotational States
6.2.3 The Non-rigid Rotor
6.2.4 Intensities, Populations, and Transition Probabilities
6.3 Laboratory Rotational Absorption Spectroscopy
6.3.1 Experimental Setup
6.4 The Symmetric Rotor
6.4.1 Energy Terms and Spectra
6.4.2 Intensities and Remote Sensing
6.4.3 Toward the Asymmetric Rotor
6.5 Laboratory Rotational Emission Spectroscopy
6.5.1 Experimental Setup
6.6 Molecular Symmetry—Group Theory in a Nutshell
6.6.1 Introduction, Separation of Variables
6.6.2 Pauli Principle
6.6.3 Normal Modes of Molecular Vibration
6.6.4 Molecular Symmetry Representations
6.7 Vibrational Spectroscopy
6.7.1 N2O, a Linear Molecule
6.7.2 Vibrational and Rovibrational Spectroscopy CH3+—A Symmetric Top Molecule
6.7.3 Rotational Spectroscopy of an Asymmetric Top
6.8 Large Amplitude Motion: Tunneling and Internal Rotation
6.8.1 Tunneling: Chirped-pulse Fourier Transform Spectroscopy
6.8.2 Internal Rotation: CH3 Torsion
6.8.3 Rotation Torsion Coupling
6.8.4 Example: Methacrolein
6.9 Astrophysical Spectra
6.9.1 Propanal: a Complex Molecule Seen with ALMA
6.9.2 Protonated Hydrogen, H3+, Molecules as a Chemical Clock
6.9.3 C60+, One Carrier of the DIBs
6.9.4 Molecular Spectroscopy: a Molecular Physics Perspective
Acknowledgements
References
CH007.pdf
Chapter 7 Excitation of Astrophysical Molecules
7.1 Radiative Transitions
7.2 Non-LTE Situations
7.3 Collisional Transitions
7.3.1 Calculation and Fitting of Potential Energy Surfaces
7.3.2 Time-independent Quantum Scattering Calculations
7.3.3 Hyperfine Transitions
7.4 Excitation of Interstellar Molecules
References
CH008.pdf
Chapter 8 Applications: the Molecular Viewpoint of Interstellar Observations
8.1 Introduction
8.2 Importance of Accurate Molecular Data
8.2.1 Spectroscopy
8.2.2 Chemical Reactivity
8.2.3 Quantum Chemistry
8.2.4 Laboratory Confirmation
8.3 Success and Limitations of Gas-phase Chemistry
8.3.1 Successful Achievements of Gas-phase Chemical Models
8.3.2 The Limitations of Gas-phase Chemistry
8.3.3 Complex Organic Molecules
8.4 The Importance of Surface Chemistry
8.4.1 Bottom-up versus Top-down Chemistry
8.4.2 The Sulfur Problem
8.5 Conclusions
Acknowledgements
References