Author: Julie Annette Ketchersid StephensPublisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 62
Book Description
Trajectories of Proton Transfer Reactions
Author: Julie Annette Ketchersid StephensPublisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 62
Book Description
Part I: Studies on the Trajectory of Proton Transfer Reactions. Part II: Conformational Studies of Surfactant Molecules
Author: Pedro C. VasquezPublisher:
ISBN:
Category : Chemical reactions
Languages : en
Pages : 170
Book Description
Proton Transfer Reaction Mass Spectrometry
Author: Andrew M. EllisPublisher: John Wiley & Sons
ISBN: 1118683579
Category : Science
Languages : en
Pages : 361
Book Description
Proton Transfer Reaction Mass Spectrometry (PTR-MS) is a rapidly growing analytical technique for detecting and identifying very small quantities of chemical compounds in air. It has seen widespread use in atmospheric monitoring and food science and shows increasing promise in applications such as industrial process monitoring, medical science and in crime and security scenarios. Written by leading researchers, this is the first book devoted to PTR-MS and it provides a comprehensive account of the basic principles, the experimental technique and various applications, thus making this book essential reading for researchers, technicians, postgraduate students and professionals in industry. The book contains nine chapters and is divided into two parts. The first part describes the underlying principles of the PTR-MS technique, including • the relevant ion-molecule chemistry • thermodynamics and reaction kinetics • a discussion of ion sources, drift tubes and mass spectrometers • practical aspects of PTR-MS, including calibration. The second part of the book turns its attention to some of the many applications of PTR-MS, demonstrating the scope and benefits, as well as the limitations, of the technique. The chapters that make up the second part of the book build upon the material presented in the first part and are essentially self-contained reviews focusing on the following topics: • environmental science • food science • medicine • homeland security, and • applications of PTR-MS in liquid analysis.
Proton-Transfer Reactions
Author: E. F. CaldinPublisher: Springer
ISBN: 1489930132
Category : Science
Languages : en
Pages : 446
Book Description
Energetic and Dynamical Aspects of Proton Transfer Reactions in Solution
Author: R. A. MarcusPublisher:
ISBN:
Category :
Languages : en
Pages : 19
Book Description
Several energetic and dynamical aspects of proton transfers are treated. The effect of intrinsic barrier asymmetry on BEBO calculated Bronsted plots is investigated, and contributions to work terms are also considered. The dynamics of transfer of a light particle between two heavier ones is discussed for a particular potential energy surface, making use of classical trajectories, semiclassical concepts, and a previous quantum study. The question of nonequilibrium polarization of solvent is also considered.
Photodissociation Dynamics
Author: Reinhard SchinkePublisher: Cambridge University Press
ISBN: 9780521484145
Category : Science
Languages : en
Pages : 446
Book Description
Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.
Kinetics of Ion-Molecule Reactions
Author: Pierre J. AusloosPublisher: Springer Science & Business Media
ISBN: 1461329310
Category : Science
Languages : en
Pages : 507
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.
Frontier Orbitals and Reaction Paths
Author: Kenichi FukuiPublisher: World Scientific
ISBN: 9810222416
Category : Science
Languages : en
Pages : 563
Book Description
This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.
Electron and Proton Transfer in Chemistry and Biology
Author: Achim MüllerPublisher: Elsevier Publishing Company
ISBN:
Category : Science
Languages : en
Pages : 420
Book Description
Various aspects of electron and proton transfer in chemistry and biology are described in this volume. The joint presentation was chosen for two reasons. Rapid electron and proton transfer govern cellular energetics in both the most primitive and higher organisms with photosynthetic and heterotrophic lifestyles. Further, biology has become the area where the various disciplines of science, which were previously diversified, are once again converging. The book begins with a survey of physicochemical principles of electron transfer in the gas and solid phase, with thermodynamic and photochemical driving force. Inner and outer sphere mechanisms and the coupling of electron transfer to nuclear rearrangements are reviewed. These principles are applied to construct artificial photosynthesis, leading to biological electron transfer involving proteins with transition metal and/or organic redox centres. The tuning of the free energy profile on the reaction trajectory through the protein by single amino acids or by the larger ensemble that determines the electrostatic properties of the reaction path is one major issue.Another one is the transformation of one-electron to paired-electron steps with protection against hazardous radical intermediates. The diversity of electron transport systems is represented in various chapters with emphasis on photosynthesis, respiration and nitrogenases. The book will be of interest to scientists in chemistry, physics and the life sciences.
Author: Susan Baer