Tutorials in Molecular Reaction Dynamics - Brossura

Brossura

ISBN 10: 1849735301 ISBN 13: 9781849735308

Casa editrice: Royal Society of Chemistry, 2011

Riassunto

The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

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Informazioni sugli autori

Mark Brouard is a Professor of Chemistry at the University of Oxford. He has 20 years experience of research in the field, with around 90 publications, including a textbook on Reaction Dynamics, to his name. His research involves studying the mechanisms of elementary chemical processes in the gas phase, with a view to understanding these processes at a fundamental level. He has been invited to speak on this subject at numerous international conferences. Claire Vallance is based in the Department of Chemistry at the University of Oxford. She has more than ten years research experience in molecular reactions dynamics and has authored around 40 refereed publications in the area. Her current research interests focus on the dynamics of biomolecular reactions; angular momentum alignment and orientation in the products of molecular photodissociation; cavity ringdown techniques; whispering gallery modes in dielectric microspheres and optical fibres for chemical applications and supercontinuum light sources for spectroscopy.

Mark Brouard is a Professor of Chemistry at the University of Oxford. He has 20 years experience of research in the field, with around 90 publications, including a textbook on Reaction Dynamics, to his name. His research involves studying the mechanisms of elementary chemical processes in the gas phase, with a view to understanding these processes at a fundamental level. He has been invited to speak on this subject at numerous international conferences. Claire Vallance is based in the Department of Chemistry at the University of Oxford. She has more than ten years research experience in molecular reactions dynamics and has authored around 40 refereed publications in the area. Her current research interests focus on the dynamics of biomolecular reactions; angular momentum alignment and orientation in the products of molecular photodissociation; cavity ringdown techniques; whispering gallery modes in dielectric microspheres and optical fibres for chemical applications and supercontinuum light sources for spectroscopy.

Dalla quarta di copertina

The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

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Tutorials in Molecular Reaction Dynamics

By Mark Brouard, Claire Vallance

The Royal Society of Chemistry

Copyright © 2010 Royal Society of Chemistry
All rights reserved.

ISBN: 978-1-84973-530-8

Contents

List of Study Boxes, 
Acknowledgements, 
Biographies, 
Chapter 1 Introduction Mark Brouard and Claire Vallance, 
Chapter 2 Potential Energy Surfaces: the Forces of Chemistry Matthew A. Addicoat and Michael A. Collins, 
Chapter 3 Scattering Theory: Predicting the Outcome of Chemical Events Anthony J. H. M. Meijer and Evelyn M. Goldfield, 
Chapter 4 Processes Involving Multiple Potential Energy Surfaces Bertrand Retail and Andrew J. Orr-Ewing, 
Chapter 5 Elastic and Inelastic Scattering: Energy Transfer in Collisions David W. Chandler and Steven Stolte, 
Chapter 6 Reactive Scattering: Reactions in Three Dimensions Piergiorgio Casavecchia, Kopin Liu and Xueming Yang, 
Chapter 7 Reactive Scattering: Quantum State-Resolved Chemistry F. Fleming Crim, 
Chapter 8 Photodissociation Dynamics: the Fragmentation of Molecules by Light David H. Parker, André T. J. B. Eppink and Claire Vallance, 
Chapter 9 Stereodynamics: Orientation and Alignment in Chemistry F. Javier Aoiz and Marcelo P. de Miranda, 
Chapter 10 Surface Scattering: Molecular Collisions at Interfaces Andrew Hodgson and George Darling, 
Chapter 11 Femtochemistry and the Control of Chemical Reactivity Helen H. Fielding and Abigail D. G. Nunn, 
Chapter 12 Cold and Ultracold Collisions Gerrit C. Groenenboom and Liesbeth M. C. Janssen, 
Further Reading, 
Glossary of Acronyms, 
Bibliography, 
Subject Index, 

CHAPTER 1

Introduction

MARK BROUARD AND CLAIRE VALLANCE

1.1 INTRODUCTION

The field of molecular reaction dynamics encompasses a broad range of research areas united by the common goal of gaining a truly fundamental understanding of chemical reactivity. A single chemical event may be thought of in terms of a collision in which the species involved change their chemical identity through the cleavage and formation of chemical bonds. When we look at many such collisions, we find that every chemical reaction bears its own unique fingerprint, embodied in the kinetic energy, angular distribution, and rotational and vibrational motion of the newly formed reaction products. These quantities reflect the forces acting during the reaction, particularly in the transition state region, and their measurement often provides unparalleled insight into the basic physics governing chemical reactivity.

The 'basic physics' we are interested in is in principle very simple. Any collision must satisfy certain physical laws, such as conservation of energy and momentum, with the consequence that the final result of a chemical reaction is determined completely by the forces and energetics involved in the reactive collision. However, despite this apparent simplicity, the intricacies of molecular structure and dynamics mean that gaining a detailed understanding of even a fairly simple reaction presents a challenging problem. The outcome of a reactive collision may be exquisitely sensitive not only to the chemical identity and structure of the reactants, but also to their relative orientation and velocity, their electronic, vibrational and rotational states, and so on. The many variables affecting reactive collisions give rise to a rich and varied spectrum of chemical reactivity. Gaining an appreciation of the various factors at play is the focus of this book.

As an example of the types of questions that a reaction dynamics study can answer, consider an

Dettagli dell'edizione

• Editore: Royal Society of Chemistry
• Data di pubblicazione: 2011
• Lingua: Inglese
• ISBN 10: 1849735301
• ISBN 13: 9781849735308
• Rilegatura: Copertina flessibile
• Numero di pagine: 481
• Redattore: Brouard Mark, Vallance Claire
• Contatto del produttore: non disponibile
• Persona responsabile: gpsr@libri.de; gpsr@libri.de; ; Friedensallee 273; Hamburg; 22763; Germania