Book contents
- Frontmatter
- Contents
- Preface
- 1 Introduction
- PART ONE FUNDAMENTALS OF STATISTICAL THERMODYNAMICS
- PART TWO QUANTUM MECHANICS AND SPECTROSCOPY
- PART THREE STATISTICAL THERMODYNAMICS IN THE DILUTE LIMIT
- PART FOUR STATISTICAL THERMODYNAMICS BEYOND THE DILUTE LIMIT
- PART FIVE NONEQUILIBRIUM STATISTICAL THERMODYNAMICS
- PART SIX THE ENSEMBLE METHOD OF STATISTICAL THERMODYNAMICS
- PART SEVEN APPENDICES
- A Physical Constants and Conversion Factors
- B Series and Integrals
- C Periodic Table
- D Mathematical Procedures
- E Thermochemical Data for Ideal Gases
- F Summary of Classical Thermodynamics
- G Review of Classical Mechanics
- H Review of Operator Theory
- I The Spherical Coordinate System
- J Electronic Energy Levels
- K Energy-Mode Parameters for Molecules
- L Normal Mode Analysis
- M Tabulation of Debye Function
- N Maxwell–Boltzmann Energy Distribution
- O Force Constants for the Lennard–Jones Potential
- P Collision Integrals for Calculating Transport Properties from the Lennard–Jones Potential
- Q Reduced Second Virial Coefficient from the Lennard–Jones Potential
- R References and Acknowledgments
- Index
K - Energy-Mode Parameters for Molecules
Published online by Cambridge University Press: 05 June 2012
Book contents
- Frontmatter
- Contents
- Preface
- 1 Introduction
- PART ONE FUNDAMENTALS OF STATISTICAL THERMODYNAMICS
- PART TWO QUANTUM MECHANICS AND SPECTROSCOPY
- PART THREE STATISTICAL THERMODYNAMICS IN THE DILUTE LIMIT
- PART FOUR STATISTICAL THERMODYNAMICS BEYOND THE DILUTE LIMIT
- PART FIVE NONEQUILIBRIUM STATISTICAL THERMODYNAMICS
- PART SIX THE ENSEMBLE METHOD OF STATISTICAL THERMODYNAMICS
- PART SEVEN APPENDICES
- A Physical Constants and Conversion Factors
- B Series and Integrals
- C Periodic Table
- D Mathematical Procedures
- E Thermochemical Data for Ideal Gases
- F Summary of Classical Thermodynamics
- G Review of Classical Mechanics
- H Review of Operator Theory
- I The Spherical Coordinate System
- J Electronic Energy Levels
- K Energy-Mode Parameters for Molecules
- L Normal Mode Analysis
- M Tabulation of Debye Function
- N Maxwell–Boltzmann Energy Distribution
- O Force Constants for the Lennard–Jones Potential
- P Collision Integrals for Calculating Transport Properties from the Lennard–Jones Potential
- Q Reduced Second Virial Coefficient from the Lennard–Jones Potential
- R References and Acknowledgments
- Index
Summary
Parameters describing internal energy modes for molecular systems are required for statistical calculations of thermodynamic properties. This appendix includes such parameters for both diatomic and polyatomic molecules. Energy-mode parameters are tabulated for selected diatomic molecules in their ground electronic states. Term symbols for these electronic states are included, along with relevant bond lengths and dissociation energies. Similar parameters are also given for diatomic molecules in accessible upper electronic states. Finally, term symbols, rotational constants, and vibrational frequencies (cm−1) are tabulated for selected polyatomic molecules, with a particular focus on triatomic species. All diatomic data have been extracted from Huber and Herzberg (1978), while the polyatomic data have been taken from Herzberg (1991). Additional spectroscopic data are available electronically from NIST(http://webbook.nist.gov/chemistry/).
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- Statistical ThermodynamicsFundamentals and Applications, pp. 427 - 429Publisher: Cambridge University PressPrint publication year: 2005
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