Molecular Reaction Dynamics and Chemical Reactivity

by Levine, Raphael D.; Bernstein, Richard B.

• ISBN13: 9780195041392
• ISBN10: 0195041399
• Format: Hardcover
• Copyright: 1987-10-15
• Publisher: Oxford University Press

Summary

Focusing on one of the most productive areas of modern chemical research, this text describes the molecular-level mechanisms of elementary chemical reactions and presents the contributions of molecular beam and laser techniques. The authors assume a basic familiarity with physical chemistry as they guide the reader from well-known principles to state-of-the-art research results. The goal is an understanding of chemical reactivity and physical rate processes, from the fundamental, microscopic point of view, with emphasis on phenomena and their conceptual interpretation rather than the details of experimental techniques or theories. The authors have collaborated over many years and are the co-authors of the precursor volume Molecular Reaction Dynamics (Oxford University Press, 1974). This completely new work discusses the following topics: dynamics of molecular collisions; intermolecular potentials and potential energy surfaces; molecular and ion beam scattering; "direct" versus "complex" modes of reaction; reagent state selection and product analysis; energy partitioning and surprisal analysis; photofragmentation and multiphoton dissociation; electronic, vibrational, and rotational energy transfer; chemical lasers and laser chemistry; Van der Waals molecules and clusters; and stereospecific dynamics. An appropriate text for advanced courses in kinetics, physical chemistry or chemical physics, and also a timely reference source, Molecular Reaction Dynamics and Chemical Reactivity presents both fundamental principles and the latest developments in this rapidly advancing field.

Table of Contents

Understanding Molecular Collisions

What is Molecular Dynamics?

An Example: Infrared Chemiluminescence

Why Molecular Dynamics?

A Simple Model of Energy Partitioning

The Need to Know

Dynamics of Molecular Collisions

Molecular Collisions and Free-Path Phenomena

Dynamics of Elastic Molecular Collisions

The Reaction Cross Section

The Reactions Probability

Scattering as a Probe of Collision Dynamics

Elastic Scattering as a Probe of the Interaction Potential

Intermolecular Potentials from Experiment and Theory

Angular Distribution In Direct Reactive Collisions

The Polyatomic Approach to Chemical Reactivity

Energy and Chemical Change

Three-Body Potential Energy Functions and Chemical Reactions

The Classical Trajectory Approach to Reaction Dynamics

From Microscopic Dynamics to Macroscopic Kinetics

The Practice of Molecular Reaction Dynamics

The Wish and the Realization

Molecules, Radiation and Laser Interactions

Molecular and Ion Beam Scattering

The Collisional Method

Surprisal

Quantum Dynamics

Molecular Energy Transfer

A Macroscopic Description of Energy Transfer

Simple Models of Energy Transfer

State-to-State Inelastic Collisions

Collisions of Molecules with Surfaces

Bimolecular Spectroscopy

Electronic Energy Transfer

Reaction Dynamics and Chemical Reactivity

A Case Study of an Elementary Reaction

Collision Complexes: Their Formation and Decay

Multiphoton Dissociation

Van der Waals Molecules and Clusters

Molecular Dynamics of Gas-Surface Reactions

Stereospecific Dynamics

The New Frontiers

Table of Contents provided by Publisher. All Rights Reserved.