Atom - Molecule Collision Theory: A Guide for the Experimentalist

✍ Scribed by Richard B. Bernstein (auth.), Richard B. Bernstein (eds.)

• Publisher: Springer US
• Year: 1979
• Tongue: English
• Leaves: 785
• Edition: 1
• Category: Library

✦ Synopsis

The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi­ mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im­ portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.

✦ Table of Contents

Front Matter....Pages i-xx
Introduction to Atom-Molecule Collisions: The Interdependency of Theory and Experiment....Pages 1-43
Interaction Potentials I: Atom-Molecule Potentials....Pages 45-78
Interaction Potentials II: Semiempirical Atom-Molecule Potentials for Collision Theory....Pages 79-110
Elastic Scattering Cross Sections I: Spherical Potentials....Pages 111-199
Elastic Scattering Cross Sections II: Noncentral Potentials....Pages 201-237
Inelastic Scattering Cross Sections I: Theory....Pages 239-257
Inelastic Scattering Cross Sections II: Approximation Methods....Pages 259-263
Rotational Excitation I: The Quantal Treatment....Pages 265-299
Rotational Excitation II: Approximation Methods....Pages 301-358
Rotational Excitation III: Classical Trajectory Methods....Pages 359-375
Vibrational Excitation I: The Quantal Treatment....Pages 377-390
Vibrational Excitation II: Classical and Semiclassical Methods....Pages 391-425
Electronic Excitation: Nonadiabatic Transitions....Pages 427-465
Reactive Scattering Cross Sections I: General Quantal Theory....Pages 467-476
Reactive Scattering Cross Sections II: Approximate Quantal Treatments....Pages 477-503
Reactive Scattering Cross Sections III: Quasiclassical and Semiclassical Methods....Pages 505-566
Direct-Mode Chemical Reactions I: Methodology for Accurate Quantal Calculations....Pages 567-594
Direct-Mode Chemical Reactions II: Classical Theories....Pages 595-646
Complex-Mode Chemical Reactions: Statistical Theories of Bimolecular Reactions....Pages 647-653
Collision-Induced Dissociation I: Quantal Treatment....Pages 655-667
Collision-Induced Dissociation II: Trajectories and Models....Pages 669-692
Information-Theoretic Approach: Application to Molecular Collisions....Pages 693-750
Back Matter....Pages 751-779

✦ Subjects

Chemistry/Food Science, general