Download or read book Highlights in Solute Solvent Interactions written by Wolfgang Linert and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most organic molecules retain their integrity when dissolved, and even though in such cases the effects exerted by solvents are, in the language of the coordination chemist, of the "outer sphere" kind, the choice of solvent can be critical to the successful outcome of an operation or preparation. Solubilities of reactants and products must be taken into account, and even if the organic principals in the reactions retain their integrity, many of the reagents are electrolytes, and their state of aggregation will affect their reactivity. In testifying to the importance of understanding solute-solvent interactions I draw attention to a large class of inorganic species for which the involvement in the chemical and physical properties by the solvent is even more deeply seated. It is comprised by the large body of metal atoms in low oxidation states for which solvent molecules intervene as reagents. At the same time, because the ions carry charges, the effects arising from outer sphere interactions are usually greater than they are for neutral molecules. To cite an example: when FeCb(s) is dissolved in water to form a dilute - say O. OlO- solution there is a complete reorganization of the coordination sphere of the cation. Whereas in the solid each cation is surrounded by six chloride ions, in the solution the dominant form is [Fe(H20)6]3+ followed by [Fe(H20)sCI]2+, [Fe(H20)4CI2]+, etc. in rapidly decreasing abundance.
Download or read book Annual Reports on NMR Spectroscopy written by Graham A. Webb and published by Academic Press. This book was released on 2008-10-13 with total page 225 pages. Available in PDF, EPUB and Kindle. Book excerpt: The great importance of NMR in many areas of scientific research is once again highlighted in this volume of Annual Reports on NMR Spectroscopy. Provides updates on the latest developments in NMR spectroscopy Includes comprehensive review articles Highlights the increasing importance of NMR spectroscopy as a technique for structural determination
Download or read book Solvents and Solvent Effects in Organic Chemistry written by Christian Reichardt and published by John Wiley & Sons. This book was released on 2011-08-04 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Nanostructured Materials written by Heinrich Hofmann and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles in this book summarize the work presented at the mid-term workshop of the COST (European Cooperation in the Fields of Scientific and Technical Research) action on Nanostructured Materials, which was held in October 2001 in Limerick, Ireland. The collection gives an excellent overview of the state-of-the-art, topical research areas in this field, and the progress made by the coordinated research projects. The articles cover synthesis, physical properties and characterization of nanostructured materials, such as magnetic and ferroelectric nanoparticles, nanoparticles in biological systems, metallic nanoparticles, nanocomposites, particle-reinforced polymers, semiconductor nanoparticles and thin films.
Download or read book Solute solvent Interactions written by Johannes Francois Coetzee and published by . This book was released on 1969 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Solvents Volume 1 written by George Wypych and published by Elsevier. This book was released on 2024-02-07 with total page 997 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Solute Solvent Interactions 1969 written by Johannes François Coetzee and published by . This book was released on 1969 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Basics of Liquids and Liquid Based Materials written by Katsura Nishiyama and published by Springer Nature. This book was released on 2022-01-03 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.
Download or read book Developments and Applications in Solubility written by Trevor M Letcher and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solubility is fundamental to most areas of chemistry and is one of the most basic of thermodynamic properties. It underlies most industrial processes. Bringing together the latest developments and ideas, Developments and Applications in Solubility covers many varied and disparate topics. The book is a collection of work from leading experts in their fields and covers the theory of solubility, modelling and simulation, industrial applications and new data and recent developments relating to solubility. Of particular interest are sections on: experimental, calculated and predicted solubilities; solubility phenomena in 'green' quaternary mixtures involving ionic liquids; molecular simulation approaches to solubility; solubility impurities in cryogenic liquids and carbon dioxide in chemical processes. The book is a definitive and comprehensive reference to what is new in solubility and is ideal for researcher scientists, industrialists and academics
Download or read book Quantitative Treatments of Solute Solvent Interactions written by P. Politzer and published by . This book was released on 1994-12-07 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective approaches to understanding, describing and predicting ways in which solutes and solvents interact and the effects they have upon each other. The treatment of solute/solvent interactions that is presented emphasizes a synergism between theory and experiment. Data obtained experimentally are used as a basis for developing quantitative theoretical models that permit the correlation and interpretation of the data, and also provide a predictive capability. The latter being of course a key motivation for these efforts. Linear solvation energy relationships have been quite successful in this respect and accordingly receive considerable attention. Other effective approaches, including computational ones, are also being pursued, and are discussed in several chapters. This is an area that is continually evolving, and it is hoped that the present volume will convey a sense of its dynamic nature.
Download or read book Protein Purification Process Engineering written by Roger Harrison and published by Routledge. This book was released on 2019-07-16 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offers coverage of the development of protein purification processes for large-scale commercial operations, and addresses process development, scale-up, applications and mathematical descriptions. Technologies currently used at the commercial scale are covered in depth.
Download or read book Current Developments in Solid State NMR Spectroscopy written by Norbert Müller and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 143 pages. Available in PDF, EPUB and Kindle. Book excerpt: Why to apply solid-state NMR? - By now, we should have learned that NMR is mainly used for the study of molecules in solution, while x-ray diffraction is the method of choice for solids. Based on this fact, the two recent 'NMR-Nobelprizes' went indeed into the liquid phase: my own one eleven years ago, and particularly the most recent one to Kurt Wuthrich. His prize is beyond any doubts very well justified. His contribution towards the study of biomolecules in solution, in their native (or almost native) environment is truly monumental. We all will profit from it indirectly when one of our future diseases will be cured with better drugs, based on the insightful knowledge gained through liquid-state NMR. Two fields of NMR are still left out of the Nobel Prize game: magnetic reso nance imaging (MRI) and solid-state NMR. The disrespect for MRI in Stockholm is particularly difficult to understand; but this is not a subject to be discussed at the present place. Solid-state NMR is the third of the three great fields of NMR, powerful already today and very promising for the near future.
Download or read book Science of Synthesis Water in Organic Synthesis written by Shu Kobayashi and published by Thieme. This book was released on 2014-05-14 with total page 1581 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water in Organic Synthesis is essential for the organic chemist in helping gain a thorough appreciation of the latest and most reliable available methods for using water in organic synthesis. It illustrates how water can often be a viable and green solvent in the laboratory and provides a detailed introduction to the subject: background information, evaluated methods, practical applications, industrial applications, special techniques, and an overview of the latest trends. The reference work also helps in inspiring chemists worldwide to find new approaches and techniques for the application of water in organic synthesis. Comprehensive overview of a rapidly progressing field Critical review of aqueous reactions by 47 experts Covering almost all types of organic reactions Including special techniques with water and industrial applications Emphasis on environmental aspects
Download or read book Nonequilibrium Energy Surfaces and Discrete Solvent Environments in Solution phase Chemical Bond Breaking written by Andy Vong and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solvent dynamics are varied, complex, and can even change during the course of a chemical reaction. At the same time, they can be important for understanding the physics of solution-phase chemistry, thus requiring a framework for which to think about solvent effects. On one side, energy surfaces capture the average behavior of the reaction dynamics, but it is not clear how energy surfaces for solution-phase reactions ought to be constructed. On the other side, response functions capture the solvent fluctuations and provide information on how the solvent responds to changes of reacting solutes. This thesis explores the nature of solvent dynamics during the course of a bond-breaking reaction using the simulated photodissociation dynamics of Na$_2^+$ in liquid Ar and tetrahydrofuran (THF). Following the introduction, Chapter 2, reprinted with permission from Andy Vong, Devon R. Widmer, and Benjamin J. Schwartz ``Nonequilibrium Solvent Effects During Photodissociation in Liquids: Dynamical Energy Surfaces, Caging and Chemical Identity" \textit{J. Phys. Chem. Lett.} \textbf{2020}, \textit{11}, 9230--9238, identifies key photodissociation dynamics in Ar and THF and how energy surfaces for solution-phase reactions may be constructed. The potential energy surfaces of solution-phase reactions are generally inherited from gas-phase potentials or calculated by assuming that the solvent is in equilibrium with the solute, commonly referred to as the potential of mean force. For photodissociation reactions, which are molecularly ``violent", it is unlikely for the solvent to remain at equilibrium with the dissociating solute. Alternatively, a time-integral of work expression can directly capture the nonequilibrium dynamics to create a dynamical, nonequilibrium energy surface. For Na$_2^+$ in liquid Ar, the dynamical energy surface shows clear signatures of solvent caging, and the degree of caging is directly related to the mass of the solvent atoms. For Na$_2^+$ in liquid THF, local specific interactions between the solute and solvent lead to changes in chemical identity that create a kinetic trap that effectively prevents the molecule from dissociating. For both systems, this time-integral of work expression captures the key nonequilibrium effects during bond breaking, providing an example of how solution-phase energy surfaces may be constructed and indicating how both a gas-phase energy surface and potential of mean force are inadequate for describing solution-phase dynamics. In Chapter 3, reprinted with permission from Andy Vong and Benjamin J. Schwartz ``Bond-Breaking Reactions Encounter Distinct Solvent Environments Causing Breakdown of Linear Response" \textit{J. Phys. Chem. Lett.} \textbf{2022}, \textit{13}, 6783--6791, the nature of the solvent dynamics during the photodissociation of Na$_2^+$ in liquid Ar are followed along the bond-length coordinate. Surprisingly, we find that the solute experiences a small number of solvent environments that change in a discrete fashion as the bond lengthens. We also test a common assumption about nonequilibrium solvent fluctuations, the linear response approximation, and find that linear response fails by all measures, even when nonstationarity of solvent dynamics is considered. The observation of distinct solvent response environments with a solvent that can undergo only translational motions highlights the complexity of solute-solvent interactions, but that there are only a few environments give hope to the idea that solvation dynamics can be understood for solution-phase reactions that explore a wide configuration space, such as photodissociation. In Chapter 4, reprinted with permission from Andy Vong, Kenneth J. Mei, Devon R. Widmer, and Benjamin J. Schwartz ``Solvent Control of Chemical Identity Can Change Photodissociation into Photoisomerization" \textit{J. Phys. Chem. Lett.} \textbf{2022}, \textit{13}, 7931--7938, we improve upon the dynamical energy surface of Na$_2^+$ in THF by explicitly considering the motion of neighboring solvent molecules. Moderate locally-specific solute-solvent interactions can make it more appropriate to think of neighboring solvent molecules as a part of the solute's chemical identity. By focusing on the dynamics of a Na$_2$(THF)$_n^+$ complex, rather than just Na$_2^+$, we identify a second reaction coordinate and formulate a two-dimensional dynamical energy surface. This new energy surface highlights how solvent effects changes what would be a strictly dissociative reaction in the gas phase into a two-step, sequential reaction with the first step similar to a photoisomerization reaction, and the second step being a weakly dissociative step. Overall, this work serves as a reference point for developing a framework for thinking about solution-phase chemistry by considering how energy surfaces might be constructed for these reactions and detailing how the solute can experience discrete changes in solvent dynamics and environments
Download or read book Solute solvent interactions ed written by Johannes F. Coetzee and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Calculation of NMR and EPR Parameters written by Martin Kaupp and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 621 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind. The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.
Download or read book Solute solvent interactions in chemistry and biology written by Mortimer J. Kamlet and published by . This book was released on 1989 with total page 84 pages. Available in PDF, EPUB and Kindle. Book excerpt:
