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Author: Viktor Gutmann Publisher: Springer ISBN: Category : Science Languages : en Pages : 304
Book Description
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: Viktor Gutmann Publisher: Springer ISBN: Category : Science Languages : en Pages : 304
Book Description
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: K. L. Mittal Publisher: VSP ISBN: 9789067643252 Category : Technology & Engineering Languages : en Pages : 910
Book Description
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 ISBN: Category : Science Languages : en Pages : 304
Book Description
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: Valerie Jean Bradford Publisher: ISBN: Category : Aromatic compounds Languages : en Pages : 396
Book Description
Aromatic donor-acceptor interactions have been utilized by the Iverson group in the development of abiotic molecules, called aedamers, that achieve new folding motifs, intermolecular association in heteroduplexes, and new material properties. These molecules exploit the interaction between the electron-rich 1,5-dialkoxynapthalene (DAN) and electron-deficient 1,4,5,8-naphthalenetetracarboxylic diimide (NDI) units in a face-centered stacking geometry in aqueous solution. This dissertation describes the use of DAN-NDI interactions in the realm of peptides and proteins to expand the scope for applications of this interaction. This work specifically focuses on three areas of aromatic donor-acceptor interactions: achieving protein behavior with abiotic molecules, introducing the interaction into natural peptides, and utilizing the interaction in the intermolecular association of an abiotic molecule and a natural peptide. Chapter 2 refines the model of aggregation of an amphiphilic aedamer, which forms a hydrogel upon heating. The aedamer behaves similarly to proteins called amlyoids, which form fibrils and plaques in vivo which have been implicated in a variety of diseases, including Alzheimer's. Chapter 3 describes the synthesis of [alpha]-amino acids with DAN- and NDI-containing side chains. These amino acids can be used in a peptide model of [beta]-hairpin secondary structure. The model system can determine whether aromatic donor-acceptor interactions are useful in stabilizing peptide and protein structure. Chapter 4 describes the study of the Anchored Periplasmic Expression System (APEx) for use in screening random peptide libraries. A random peptide library is used to determine the sequence of a natural peptide, potentially containing electron-rich aromatic residues, which could bind an NDI oligomer with high affinity for use as a protein expression tag. Chapter 5 describes work toward the use of cyclic NDI bisintercalators for binding both the major and minor grooves of a specific sequence of DNA simultaneously, in addition to the use of cyclic NDI and DAN molecules for the further study of NDI-DAN interactions in abiotic intermolecular assembiles. Overall, this work has advanced the application of aromatic donor-acceptor interactions in peptides and should serve as a foundation for the future study of this interaction in protein folding and behavior in biological systems.
Author: Motohiro Nishio Publisher: John Wiley & Sons ISBN: 9780471252900 Category : Science Languages : en Pages : 234
Book Description
Dieser Band beschäftigt sich mit der schwachen Wechselwirkung zwischen zwei Bindungen, die wesentlich zur Gestalt und Reaktivität eines Moleküls beiträgt. Experimentelle Basis, theoretischer Hintergrund, Eigenschaften und Auswirkungen der CH-Pi-Wechselwirkung werden diskutiert und mit den Merkmalen anderer H-Bindungen verglichen. Ein systematisch angelegter Text zu einem hochaktuellen Thema! (07/98)
Author: John M. Prausnitz Publisher: Pearson Education ISBN: 0132440504 Category : Science Languages : en Pages : 1149
Book Description
The classic guide to mixtures, completely updated with new models, theories, examples, and data. Efficient separation operations and many other chemical processes depend upon a thorough understanding of the properties of gaseous and liquid mixtures. Molecular Thermodynamics of Fluid-Phase Equilibria, Third Edition is a systematic, practical guide to interpreting, correlating, and predicting thermodynamic properties used in mixture-related phase-equilibrium calculations. Completely updated, this edition reflects the growing maturity of techniques grounded in applied statistical thermodynamics and molecular simulation, while relying on classical thermodynamics, molecular physics, and physical chemistry wherever these fields offer superior solutions. Detailed new coverage includes: Techniques for improving separation processes and making them more environmentally friendly. Theoretical concepts enabling the description and interpretation of solution properties. New models, notably the lattice-fluid and statistical associated-fluid theories. Polymer solutions, including gas-polymer equilibria, polymer blends, membranes, and gels. Electrolyte solutions, including semi-empirical models for solutions containing salts or volatile electrolytes. Coverage also includes: fundamentals of classical thermodynamics of phase equilibria; thermodynamic properties from volumetric data; intermolecular forces; fugacities in gas and liquid mixtures; solubilities of gases and solids in liquids; high-pressure phase equilibria; virial coefficients for quantum gases; and much more. Throughout, Molecular Thermodynamics of Fluid-Phase Equilibria strikes a perfect balance between empirical techniques and theory, and is replete with useful examples and experimental data. More than ever, it is the essential resource for engineers, chemists, and other professionals working with mixtures and related processes.
Author: Viktor Gutmann
Author: Viktor Gutmann
Author: L.H. Lee
Author: K. L. Mittal
Author: Viktor Gutmann
Author: Joanne Hall Smith
Author: Noel Raymond Russell
Author: Anton J. de Gee
Author: Valerie Jean Bradford
Author: Motohiro Nishio
Author: John M. Prausnitz