Kinetics, Potential Energy Surfaces, and Structure-reactivity Relationships of Gas Phase Ion Molecule Reactions

Kinetics, Potential Energy Surfaces, and Structure-reactivity Relationships of Gas Phase Ion Molecule Reactions PDF Author: Meili Zhong
Publisher:
ISBN:
Category :
Languages : en
Pages : 326

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Gas-Phase Reactions

Gas-Phase Reactions PDF Author: V.N. Kondratiev
Publisher: Springer Science & Business Media
ISBN: 3642676081
Category : Science
Languages : en
Pages : 254

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Book Description
The present monograph appears after the death of Professor V. N. Kondratiev, one of those scientists who have greatly contributed to the foundation of contem porary gas kinetics. The most fundamental idea of chemical kinetics, put for ward at the beginning of the twentieth century and connected with names such as W. Nernst, M. Bodenstein, N. N. Semenov, and C. N. Hinshelwood, was that the complex chemical reactions are in fact a manifestation of a set of simpler elementary reactions involving but a small number of species. V. N. Kondratiev was one of the first to adopt this idea and to start investigations on the elementary chemical reactions proper. These investigations revealed explicitly that every elementary reaction in turn consisted of many elementary events usually referred to as elementary processes. It took some time to realize that an elementary reaction, represented in a very simple way by a macroscopic kinetic equation, can be described on a microscopic level by a generalized Boltzmann equation. Neverheless, up to the middle of the twentieth century, gas kinetics was mainly concerned with the interpretation of complex chemical reactions via a set of elementary reactions. But later on, the situation changed drastically. First, the conditions for reducing microscopic cquations to macroscopic ones were clearly set up. These are essentially based on the fact that the small perturbations of the Maxwell-Boltzmann distribution are caused by the reaction proper.

Kinetics of Ion-Molecule Reactions

Kinetics of Ion-Molecule Reactions PDF Author: Pierre J. Ausloos
Publisher: Springer Science & Business Media
ISBN: 1461329310
Category : Science
Languages : en
Pages : 507

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Book Description
The investigation of the elementary reactions of reactive intermediate species began about half a centruy ago with the advent of free radical kinetics as an active area of chemical research. In spite of the relatively greater ease of detection of a species carrying an electrical charge, and the fact that organic chemists had for decades postulated mechanisms involving ionic intermediates, the systematic study of the elementary reactions of ions was delayed for more than twenty years after the first beginnings of free radical kinetics. Even at this writing, in 1978, the word "kinetics" is considered by many chemists to be synomomous with "kinetics of neutral species". Yet in spite of the relatively late start and separation from the mainstream of kinetics, the field of ion physics and chemistry is fluorishing, and growing at an ever faster pace. Instrumentalists devise ever more sophisticated apparatuses with capabilities of delving into nearly every aspect of the interactions between ions and molecules. Even satellites orbiting the earth are now being used effectively to determine rate coefficients of ionospheric ion-neutral reactions, some of which can not as yet be measured in the laboratory.

Advances in Gas Phase Ion Chemistry

Advances in Gas Phase Ion Chemistry PDF Author: N.G. Adams
Publisher: Elsevier
ISBN: 008055086X
Category : Science
Languages : en
Pages : 377

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Book Description
Gas-phase ion chemistry is a broad field which has many applications and which encompasses various branches of chemistry and physics. An application that draws together many of these branches is the synthesis of molecules in interstellar clouds. This was part of the motivation for studies on the neutralization of ions by electrons and on isomerization in ion-neutral associations. The results of investigations of particular aspects of ion dynamics are presented in this volume. Solvation in ion-molecule reactions is discussed and extended to include multiply charged ions by the application of electrospray techniques. This volume also provides a wealth of information on reaction thermodynamics which is critical in determining reaction spontaneity and availability of reaction channels. More focused studies are also presented towards the end of this volume, relating to the ionization process and its nature.

Advances in Gas Phase Ion Chemistry

Advances in Gas Phase Ion Chemistry PDF Author:
Publisher: Elsevier
ISBN: 0080550886
Category : Science
Languages : en
Pages : 281

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Advances in Gas Phase Ion Chemistry

Intermediates, Dynamics and Potential Energy Surfaces of Gas-phase Ion-molecule Reactions

Intermediates, Dynamics and Potential Energy Surfaces of Gas-phase Ion-molecule Reactions PDF Author: James Lawrence Wilbur
Publisher:
ISBN:
Category :
Languages : en
Pages : 420

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Gas Phase Ion Chemistry

Gas Phase Ion Chemistry PDF Author: Michael T. Bowers
Publisher: Academic Press
ISBN: 1483216497
Category : Science
Languages : en
Pages : 363

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Book Description
Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation of gas-phase ions. The applications of molecular beam techniques to the study of ion-molecule collisions; as well as the variational treatment of charge transfer reactions are also encompassed. Chemists and biochemists will find the book invaluable.

Potential Energy Surfaces and Dynamics Calculations

Potential Energy Surfaces and Dynamics Calculations PDF Author: Donald Truhlar
Publisher: Springer Science & Business Media
ISBN: 1475717350
Category : Science
Languages : en
Pages : 859

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Book Description
The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.

Energetics and Dynamics of Gas-phase Ion-molecule Reactions

Energetics and Dynamics of Gas-phase Ion-molecule Reactions PDF Author: Brian Douglas Wladkowski
Publisher:
ISBN:
Category :
Languages : en
Pages : 524

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Gas Phase Metal Reactions

Gas Phase Metal Reactions PDF Author: A. Fontijn
Publisher: Elsevier
ISBN: 1483291219
Category : Science
Languages : en
Pages : 711

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Book Description
The book brings together, for the first time, all aspects of reactions of metallic species in the gas phase and gives an up-to-date overview of the field. Reactions covered include those of atomic, other free radical and transient neutral species, as well as ions. Experimental and theoretical work is reviewed and the efforts to establish a closer link between these approaches are discussed. The field is mainly approached from a fundamental point-of-view, but the applied problems which have helped stimulate the interest are pointed out and form the major subject of the final chapters. These emphasize the competition between purely gas-phase and gas-surface reactions.