The Donor Acceptor Approach To Molecular Interactions

Author : Viktor Gutmann
Publisher : Springer
Page : 304 pages
File Size : 50,9 Mb
Release : 1978-04
Category : Science
ISBN : UCAL:B4455366

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The Donor-Acceptor Approach to Molecular Interactions by Viktor Gutmann Pdf

Recent developments in various areas of chemistry have been decisively influenced by the principles of structure and mechanism and by the ideas of coordination chemistry, in particular by the donor-acceptor approach, A unified view of almost all kinds of molecular forces is provided by quantum mechanics, and for practical purposes have been classified according to model assumptions, namely, dispersion, polarization, electrostatic, and short-range forces. The latter are divided into two- and three-center covalent chemical bonds, metallic bonds, and exchange-repulsion forces. This approach allows statements of principle and systematic analysis. However, quantitative predictions on concrete large systems are virtually impossible, and there are no general rules that account for structural and chemical changes due to intermolecular interactions. Chemists are therefore left with qualitative descriptions in which the changes in electron densities are considered. Such models as the MO theory or the resonance concept unrealistically assume that the nuclei remain in fixed positions. Further difficulties are encountered in the attempted description on the "nature" of the chemical bond, e.g., the forces involved. In order to avoid these difficulties an extension of the donor-acceptor concept, characterized by the comparison between equilibrium structures in different molecular environments, will be presented in this book. In this way, changes in the positions of the nuclei can be taken into account and the question of the nature of the molecular forces is no longer important.

Author : L.H. Lee
Publisher : Springer Science & Business Media
Page : 466 pages
File Size : 50,9 Mb
Release : 2013-06-29
Category : Science
ISBN : 9781489920737

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Fundamentals of Adhesion by L.H. Lee Pdf

Author : K. L. Mittal
Publisher : VSP
Page : 910 pages
File Size : 41,5 Mb
Release : 2000-09-28
Category : Technology & Engineering
ISBN : 9067643254

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Acid-base Interactions by K. L. Mittal Pdf

This book documents the proceedings of the Second International Symposium on Acid-Base Interactions: Relevance to Adhesion Science and Technology held in Newark, New Jersey, October 19--21, 1998. Since the first symposium on this topic was held on the occasion of the 75th birthday of Professor Frederick M. Fowkes in 1990, it was deemed opportune and necessary to hold the second symposium on this topic. This symposium was organized with the following objectives in mind: (i) to consolidate the R&D activity carried out since the first symposium, (ii) to provide a forum for discussion of latest research results, (iii) to provide an opportunity for cross-pollination of ideas, (iv) to identify topics where there was discordance of opinion or discrepancy, and (v) to highlight areas which needed intensified R&D activities. The final technical program contained a total of 36 papers by researchers and technologists from academia, industry and other organizations. This book contains a total of 32 papers, which were rigorously peer reviewed and suitably revised before inclusion in this book. The book is divided into three parts as follows: Part 1: Fundamental Aspects of Acid-Base Interactions; Part 2: Characterization of the Acid-Base Properties of Materials; and Part 3: Applications of Acid-Base Interactions. The topics covered include: Surface free energy acid-base theory applied to solid surfaces; Good, van Oss and Chaudhury theory; contact angle measurements and interpretation; acid-base theory of contact angles; acid-base strength of solid surfaces; acid-base interactions at solid surfaces; acid-base interactions at the molecular level; characterization of acid-base properties of a host of materials (polymers, wood, glass, ceramics, silica particles, textile fibers, rocks) by XPS, inverse gas chromatography, immersion calorimetry, contact angle titration, and thin layer wicking; and relevance of acid-base interactions to bioadhesion, microbial adhesion, polymer adhesion, and adhesion in reinforced polymer composites.

Author : Viktor Gutmann
Publisher : Springer
Page : 304 pages
File Size : 51,5 Mb
Release : 1978-04
Category : Science
ISBN : UOM:39015004342708

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The Donor-Acceptor Approach to Molecular Interactions by Viktor Gutmann Pdf

Recent developments in various areas of chemistry have been decisively influenced by the principles of structure and mechanism and by the ideas of coordination chemistry, in particular by the donor-acceptor approach, A unified view of almost all kinds of molecular forces is provided by quantum mechanics, and for practical purposes have been classified according to model assumptions, namely, dispersion, polarization, electrostatic, and short-range forces. The latter are divided into two- and three-center covalent chemical bonds, metallic bonds, and exchange-repulsion forces. This approach allows statements of principle and systematic analysis. However, quantitative predictions on concrete large systems are virtually impossible, and there are no general rules that account for structural and chemical changes due to intermolecular interactions. Chemists are therefore left with qualitative descriptions in which the changes in electron densities are considered. Such models as the MO theory or the resonance concept unrealistically assume that the nuclei remain in fixed positions. Further difficulties are encountered in the attempted description on the "nature" of the chemical bond, e.g., the forces involved. In order to avoid these difficulties an extension of the donor-acceptor concept, characterized by the comparison between equilibrium structures in different molecular environments, will be presented in this book. In this way, changes in the positions of the nuclei can be taken into account and the question of the nature of the molecular forces is no longer important.

Author : Gary Wulfsberg
Publisher : University Science Books
Page : 494 pages
File Size : 42,7 Mb
Release : 1991-05-29
Category : Science
ISBN : 0935702660

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Principles Of Descriptive Inorganic Chemistry by Gary Wulfsberg Pdf

This unique text is ingeniously organized by class of compound and by property or reaction type, not group by group or element by element (which requires students to memorize isolated facts).

Author : Christian Laurence,Jean-François Gal
Publisher : John Wiley & Sons
Page : 476 pages
File Size : 42,8 Mb
Release : 2009-12-23
Category : Science
ISBN : 0470681896

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Lewis Basicity and Affinity Scales by Christian Laurence,Jean-François Gal Pdf

The Lewis concept of acids and bases is discussed in every general, organic and inorganic chemistry textbook. This is usually just a descriptive treatment, as it is not possible to devise a single numerical scale suitable for all occasions. However quantitative Lewis acid-base chemistry can be developed by compiling reaction-specific basicity scales which can be used in specific branches of chemistry and biochemistry. Lewis Basicity and Affinity Scales: Data and Measurementbrings together for the first time a comprehensive range of Lewis basicity/affinity data in one volume. More than 2400 equilibrium constants of acid-base reactions, 1500 complexation enthalpies, and nearly 2000 infrared and ultraviolet shifts upon complexation are gathered together in 25 thermodynamic and spectroscopic scales of basicity and/or affinity. For each scale, the definition, the method of measurement, an exhaustive database, and a critical discussion are given. All the data have been critically examined; some have been re-measured; literature gaps have been filled by original measurements; and each scale has been made homogeneous. This collection of data will enable experimental chemists to better understand and predict the numerous chemical, physical and biological properties that depend upon Lewis basicity. Chemometricians will be able to apply their methods to the data matrices constructed from this book in order to identify the factors which influence basicity and basicity-dependent properties. In addition, measured experimental basicities and affinities are essential to computational chemists for the validation, calibration and establishment of reliable computational methods for quantifying and explaining intermolecular forces and the chemical bond. Lewis Basicity and Affinity Scales: Data and Measurement is an essential single-source desktop reference for research scientists, engineers, and students in academia, research institutes and industry, in all areas of chemistry from fundamental to applied research. "The book is a noteworthy piece of work and represents a timely and vast accumulation of knowledge regarding Lewis bases that brings together accurate thermodynamic and spectroscopic data on typical reference Lewis acids. As such, it should serve as a useful and general guide to basicity." J. AM. CHEM. SOC. 2011, 133, 642

Author : Kristin Bowman-James,Antonio Bianchi,Enrique García-Espana
Publisher : John Wiley & Sons
Page : 644 pages
File Size : 46,8 Mb
Release : 2012-03-27
Category : Science
ISBN : 9783527639519

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Anion Coordination Chemistry by Kristin Bowman-James,Antonio Bianchi,Enrique García-Espana Pdf

Building on the pioneering work in supramolecular chemistry from the last 20 years or so, this monograph addresses new and recent approaches to anion coordination chemistry. Synthesis of receptors, biological receptors and metallareceptors, the energetics of anion binding, molecular structures of anion complexes, sensing devices are presented and computational studies addressed to aid with the understanding of the different driving forces responsible for anion complexation. The reader is promised an actual picture of the state of the art for this exciting and constantly evolving field of supramolecular anion coordination chemistry. The topics range from ion channels to selective sensors, making it attractive to all researchers and PhD students with an interest in supramolecular chemistry.

Author : Pratim Kumar Chattaraj
Publisher : CRC Press
Page : 610 pages
File Size : 46,9 Mb
Release : 2009-02-23
Category : Science
ISBN : 1420065440

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Chemical Reactivity Theory by Pratim Kumar Chattaraj Pdf

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 different countries, Chemical Reactivity Theory: A Density Functional View represents the true collaborative spirit and excitement of purpose engendered by the study and use of DFT. This work instructs readers on how concepts from DFT can be used to describe, understand, and predict chemical reactivity. Prior knowledge is not required as early chapters, written by the field’s original pioneers, cover basic ground-state DFT and its extensions to time-dependent systems, excited states, and spin-polarized molecules. While the text is accessible to senior undergraduate or beginning graduate students, experienced researchers are certain to find interesting new insights in the perspectives presented by these seasoned experts. This remarkable one-of-a-kind resource— Provides authoritative accounts on aspects of the theory of chemical reactivity Describes various global reactivity descriptors, such as electronegativity, hardness, and electrophilicity Introduces and analyzes the usefulness of local reactivity descriptors such as Fukui, shape, and electron localization functions Offers an in-depth analysis of how chemical reactivity changes during different physicochemical processes or in the presence of external perturbations The book covers a gamut of related topics such as methods for determining atoms-in-molecules, population analysis, electrostatic potential, molecular quantum similarity, aromaticity, and biological activity. It also discusses the role of reactivity concepts in industrial and other practical applications. Whether you are searching for new products or new research projects, this is the ultimate guide for understanding chemical reactivity.

Author : Johann Bauer
Publisher : CRC Press
Page : 342 pages
File Size : 52,9 Mb
Release : 1994-09-09
Category : Science
ISBN : 0849389186

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Cell Electrophoresis by Johann Bauer Pdf

This book presents a summary of the application and instrumentation of cell electrophoresis. The method of making cell purification and characterization possible according to the cellular negative surface charge density is discussed, and ideas for future developments are explained. The negative electrostatic forces at cell surfaces provide information about cell-cell interaction, blood vessel sealing, cytokine actions, cell transformation, ion transport phenomena, and other biological phenomena. Recalculations of the physical principles of cell electrophoresis reveal possibilities for removing disruptive factors caused by electrical current, heat, and sedimentation. The introduction of computer technology, the performance of simultaneous two-parameter measurements, and the application of cell-friendly but current-inert buffer systems render the method more reliable and efficient.

Author : Lukasz Komsta,Monika Waksmundzka-Hajnos,Joseph Sherma
Publisher : CRC Press
Page : 1067 pages
File Size : 46,8 Mb
Release : 2013-12-20
Category : Medical
ISBN : 9781466507166

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Thin Layer Chromatography in Drug Analysis by Lukasz Komsta,Monika Waksmundzka-Hajnos,Joseph Sherma Pdf

Used routinely in drug control laboratories, forensic laboratories, and as a research tool, thin layer chromatography (TLC) plays an important role in pharmaceutical drug analyses. It requires less complicated or expensive equipment than other techniques, and has the ability to be performed under field conditions. Filling the need for an up-to-date

Author : George Wypych
Publisher : Elsevier
Page : 997 pages
File Size : 51,5 Mb
Release : 2024-02-07
Category : Technology & Engineering
ISBN : 9781774670415

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Handbook of Solvents, Volume 1 by George Wypych Pdf

This 4th edition of Handbook of Solvents, Volume 1, contains the most recent findings and trends in solvent applications. It is a comprehensive survey of the science of solvents and their properties, covering all aspects of solvent behavior that are relevant to their use in chemical and related industries including agricultural and technical processes, inorganic synthesis and materials chemistry, and more. Divided into two volumes, this first volume covers high-level information on the physical chemical properties of the most relevant solvent systems. Each chapter is focused on a specific aspect of solvent properties that determine its selection, such as the effect on properties of solutes and solutions, properties of different groups of solvents, and the summary of their applications’ effect on health and the environment (given in tabulated form). Also covered is swelling of solids in solvents, solvent diffusion and drying processes, nature of the interaction of solvent and solute in solutions, acid-base interactions, the effect of solvents on spectral and other electronic properties of solutions, the effect of solvents on the rheology of the solution, aggregation of solutes, permeability, molecular structure, crystallinity, configuration, conformation of dissolved high molecular weight compounds, and the effect of solvents on chemical reactions and reactivity of dissolved substances. With insight from specialists in a broad array of different areas and written with an interdisciplinary audience in mind, this thoroughly revised 4th edition provides readers with a complete overview of all the organic solvents available for industrial applications today. The book contains numerous references to key sources of more detailed information, and together with Handbook of Solvents Volume 2: Use, Health, and Environment; Databook of Green Solvents; and Databook of Solvents, represents the most comprehensive and up-to-date information ever published on solvents. Provides key insights that will help engineers and scientists select the best solvent for the job Includes practical information and ideas on how to improve existing processes involving solvents Presents the latest advances in solvent technology and their applications

Author : Roman F Nalewajski
Publisher : Elsevier
Page : 354 pages
File Size : 43,7 Mb
Release : 2022-11-17
Category : Medical
ISBN : 9780323956239

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Chemical Reactivity in Quantum Mechanics and Information Theory by Roman F Nalewajski Pdf

Chemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and provides an objective treatment of their fragments. The book formulates adequate entropic tools for probing in chemical terms and the electronic structure of molecules and rationalizing reactivity principles. It covers the information origins of chemical bonds, covalent/ionic composition, trends in molecular stability and reactivity, equilibrium polarizations and charge-transfer reconstructions of reactive complexes, as well as the phase/current promotions of molecular substrates. In addition, the book introduces a precise descriptor of molecular fragments and clarifies mostly intuitive semantics of several chemical concepts. Readers will find a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems in terms of quantum states and generalized concepts of Information/Communication theories. Generates a new basis for understanding the rules governing molecular processes, information origins of chemical bonding, and its covalent/ionic composition Provides an objective approach to classical issues in modern reactivity theory Offers a unifying information-theoretic perspective on electronic states

Author : Hervé Toulhoat,Jacqueline Lecourtier,Institut français du pétrole
Publisher : Editions TECHNIP
Page : 400 pages
File Size : 45,5 Mb
Release : 1992
Category : Science
ISBN : 2710806185

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Physical Chemistry of Colloids and Interfaces in Oil Production by Hervé Toulhoat,Jacqueline Lecourtier,Institut français du pétrole Pdf

Author : Y. Ivanov,Valerii Cheshkov,Margarita Natova
Publisher : Springer Science & Business Media
Page : 176 pages
File Size : 40,9 Mb
Release : 2012-12-06
Category : Technology & Engineering
ISBN : 9789401096645

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Polymer Composite Materials — Interface Phenomena & Processes by Y. Ivanov,Valerii Cheshkov,Margarita Natova Pdf

New technologies demand new materials. Polymer composites, with their wide range of possible fillers and polymers, open the way to an enormous range of materials with differing chemical, physical, and mechanical properties. The ultimate goal of polymer composite research is to formulate procedures that will lead to the design of composites with preset, i.e. specified, properties. Based on many years' experience in the field, the authors prepare the way towards just such a design procedure. The key element is the analysis and classification of the state of the filler-polymer interfaces from the point of view of their acid-base adsorption interactions. These interfacial phenomena play a pivotal role in determining overall properties of the composite: its rheological behaviour, its structural properties, catalytic effects in polymerization and polycondensation, and other technological characteristics. The book discusses and evaluates the extensive previous research scattered throughout the literature in Eastern Europe and the West, presents numerous experimental studies, and sets new benchmarks for the analysis of polymer composites. The book is required for researchers wanting to keep abreast of the progress in the burgeoning fields of polymer analysis and design.

Author : Christian Reichardt,Thomas Welton
Publisher : John Wiley & Sons
Page : 722 pages
File Size : 47,7 Mb
Release : 2011-08-04
Category : Science
ISBN : 9783527642137

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Solvents and Solvent Effects in Organic Chemistry by Christian Reichardt,Thomas Welton Pdf

Now in its 4th edition, this book remains the ultimate reference for all questions regarding solvents and solvent effects in organic chemistry. Retaining its proven concept, there is no other book which covers the subject in so much depth, the handbook is completely updated and contains 15% more content, including new chapters on "Solvents and Green chemistry", "Classification of Solvents by their Environmental Impact", and "Ionic Liquids". An essential part of every organic chemist's library.