Selectivity in Chemical Reactions by J.C. WhiteheadSelectivity in Chemical Reactions by J.C. Whitehead

Selectivity in Chemical Reactions

EditorJ.C. Whitehead

Paperback | November 3, 2011

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The aim of this Workshop on "Selectivity in Chemical Reactions" was to examine the specific preferences exhibited by simple chemical reactions with regards to reagents having particular energy states, symmetries, alignment and orientation and the resulting formation of certain products with their corresponding energies, states, alignment and polarisation. Such problems come close to the ultimate goal of reaction dynamics of being able to determine experimentally and theoretically state-to-state cross sections and stereochemical effects under well defined and characterised conditions. There are many examples of highly selective and specific processes to be found in atmospheric and combustion chemistry and the production of population inversions amongst vibrational and electronic states lies at the heart of the development of chemical laser systems. Only when we can understand the fundamental processes that underlie the selectivity in the formation of products in a chemical reaction and the specific requirements of initial states of the reagents, can we expect to be able to develop the explanatory and predictive tools necessary to apply the subject to the development of new laser systems, efficient combustion schemes and specific methods of chemical synthesis, to the control of atmospheric pollution and to all problems in which it is necessary to direct the outcome of a chemical reaction in a specific way. The brief given to the Workshop was to critically review the field, to discuss the present limitations and difficulties and to identify new directions.
Title:Selectivity in Chemical ReactionsFormat:PaperbackPublished:November 3, 2011Publisher:Springer NetherlandsLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:940107870X

ISBN - 13:9789401078702

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Table of Contents

Selectivity in Elementary Chemical Reactions.- Specificty of Reagent States in Chemical Reactions.- Laser Studies on the Selectivity of Elementary Chemical Reactions: Products, Energy, Orientation.- Rotational and Steric Effects in Three Centre Reactions.- Selectivity of Translational Excitation in Reactive Collisions. The Alkaline plus Alkyl Halide Reaction Family.- The Effect of Changing Reagent Translation on Reaction Dynamics: F + CF3I ? IF + CF3.- Internal Energy Distributions in AlO given by the Reactions of Aluminium Atoms with Several Oxidant Molecules.- The Effect of Electronic Excitation in the Reactions of Oxygen Atoms with Simple Hydride Molecules.- Laser Studies of Reaction Dynamics: The Ca* + HF ? CaF(X2?+,v) + H and Ca* + SF6 ? CaF(X2?+,v) + SF5 Reactions.- Spin-Orbit Effects in Chemical Reactions.- Spin-Orbit Effects in Chemical Reactions.- Open Shell Atomic Beam Scattering and the Spin Orbit Dependence of Potential Energy Surfaces.- Orientation and Alignment in Chemical Reactions.- Reactive Scattering with Oriented Molecules: Selectivity in the Ba + N2O ? BaO* + N2 Reaction.- Product Alignment in Reactive, Inelastic and Half-Collisions.- Alignment Effects in Electronic Energy Transfer and Reactive Events.- Fundamental Considerations in the Study of Inelastic and Reactive Collisions Involving Atoms in 1P Electronic States.- Ionizing Collisions of Fast K Atoms with Oriented Symmetric Top Molecules: Preliminary Results.- Saturation in Laser-Induced Fluorescence: Detection of Nascent Product Rotational Angular Momentum Alignment.- Investigation of the Orientation Dependence of the F + H2 Reaction Using Scaled Barrier Functions in the Angle-Dependent Line-of-Centres Model.- Reactions of van der Waals Complexes and Clusters.- Chemistry and van der Waals Complexes.- A Theoretical Study of the Oriented Reaction HBr·CO2 + hv ? OH + CO + Br.- Reactions of Molecular Ions in Association with Inert Gas Clusters.- Accuracy and Availability of Potential Energy Surfaces.- Accuracy and Availability of Potential Energy Surfaces.- The Calculation of Potential Energy Surfaces for Reactive Systems.- Electronic Deexcitation of OH(A2?+) with CO(X1?+): An Ab Initio Study.- Direct Use of the Diatomics-in-Molecules Method in Large Systems and in Dynamical Calculations.- Spin-Orbit Interaction on Potential Energy Surfaces Involving Halogen Atoms.- Multiple Pathways in Chemical Reactions.- Branching Ratios in Chemical Reactions.- The M + X2 Reactions: Paradigms of Selectivity and Specificity in Electronic Multi-Channel Reactions.- Applied Aspects of Chemical Selectivity.- The Role of Selective Chemical Reactions in Laser Technology.- State Selective Chemiluminescent Reactions for Chemical Laser Applications.- The Characterisation of the Mechanism of IF(B) Production in Fluorine/Iodide Systems.- IF(A-X,B-X) Chemiluminescence of Fluorine-Iodide Systems in a Crossed Molecular Beam Experiment.- Unexpected Properties of Atmospheric Reactions.- State Selectivity in Light Emission from Flames.- Conclusion.- Concluding Remarks.- Organising Committee.- List of Participants.