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"I wish I had learned thermodynamics this way!" That's what the authors hear all the time from instructors using Introduction to Molecular Thermodynamics. Starting with just a few basic principles of probability and the distribution of energy, the book takes students (and faculty!) on an adventure into the inner workings of the molecular world like no other. Made to fit into a standard second-semester of a traditional first-year chemistry course, or as a supplement for more advanced learners, the book takes the reader from probability to Gibbs energy and beyond, following a logical step-by-step progression of ideas, each just a slight expansion of the previous. Filled with examples ranging from casinos to lasers, from the "high energy bonds" of ATP to endangered coral reefs, Introduction to Molecular Thermodynamics hits the mark for students and faculty alike who have an interest in understanding the world around them in molecular terms. Key Features Develops students' intuition and quantitative confidence. Designed to fit within the second semester of a traditional first-year chemistry course. Includes chapter-ending summaries, problems and brain teasers. Answers to selected problems appear at the back of the book. Provides an assortment of helpful appendices, including Mathematical Tricks. Features a robust Author Website that includes a PowerPoint Introduction, an online Interactive Guide to the Book, and much more.
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 Measurement"brings 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
Janne Marie Soetbeer determines the optimal dynamical decoupling (DD) scheme for efficient reduction of electron spin coherence loss in model systems for spin labelled biomolecules depending on their particular relaxation behavior. Extending the nth order DD scheme to double electron-electron resonance (DEER) experiments require the addition of multiple pump pulses for 1. Incomplete excitation of pump spin packets introduce signal artefacts which are minimized by pump pulse optimization including linear-chirp and asymmetric hyperbolic secant pulses. Prolonging the dipolar evolution time with decreased signal artefact allows to extent the measurable interspin distances in biomolecules which were otherwise not accessible due to spin echo relaxation.
This book focuses on the exciting topic of nanoscience with liquid crystals: from self-organized nanostructures to applications. The elegant self-organized liquid crystalline nanostructures, the synergetic characteristics of liquid crystals and nanoparticles, liquid crystalline nanomaterials, synthesis of nanomaterials using liquid crystals as templates, nanoconfinement and nanoparticles of liquid crystals are covered and discussed, and the prospect of fabricating functional materials is highlighted. Contributions, collecting the scattered literature of the field from leading and active players, are compiled to make the book a reference book. Readers will find the book useful and of benefit both as summaries for works in this field and as tutorials and explanations of concepts for those just entering the field. Additionally, the book helps to stimulate future developments.
Closing a gap in the literature, this handbook gathers all the information on single particle tracking and single molecule energy transfer. It covers all aspects of this hot and modern topic, from detecting virus entry to membrane diffusion, and from protein folding using spFRET to coupled dye systems, as well recent achievements in the field. Throughout, the first-class editors and top international authors present content of the highest quality, making this a must-have for physical chemists, spectroscopists, molecular physicists and biochemists.
Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understanding catalysts. With its broad scope -- nitrogen fixation, polymerization, C-H bond activation, oxidations, biocatalysis and much more -- this book represents an extensive knowledge base for designing efficient catalysts, allowing readers to improve the performance of their own catalysts.
The book addresses the interdisciplinary scientific approach for the systemic understanding of connections between major human diseases and their treatment regime by applying the tools and techniques of nanotechnology. It also highlights the interdisciplinary collaborative researches for innovation in Biomedical Sciences. The book is a second volume which presents collection of best papers presented in the First International Conference on Infectious Diseases and Nanomedicine held during Dec. 15-18, 2012 in Kathmandu, Nepal. The book focuses mainly on the topics: emerging infectious diseases; antimicrobial agents, vaccines and immunity; drug design, drug delivery and tissue engineering and nanomaterials and biomedical materials.
This book introduces and reviews both theory and applications of
polarizational bremsstrahlung, i.e. the electromagnetic radiation
emitted during collisions of charged particles with structured,
thus polarizable targets, such as atoms, molecules and
This is the first text to cover all aspects ofsolution processedfunctional oxide thin-films. Chemical Solution Deposition (CSD) comprises all solution based thin- film deposition techniques, which involve chemical reactions of precursors during the formation of the oxide films, i. e. sol-gel type routes, metallo-organic decomposition routes, hybrid routes, etc. While the development of sol-gel type processes for optical coatings on glass by silicon dioxide and titanium dioxide dates from the mid-20th century, the first CSD derived electronic oxide thin films, such as lead zirconate titanate, were prepared in the 1980 s. Since then CSD has emerged as a highly flexible and cost-effective technique for the fabrication of a very wide variety of functional oxide thin films. Application areas include, for example, integrated dielectric capacitors, ferroelectric random access memories, pyroelectric infrared detectors, piezoelectric micro-electromechanical systems, antireflective coatings, optical filters, conducting-, transparent conducting-, and superconducting layers, luminescent coatings, gas sensors, thin film solid-oxide fuel cells, and photoelectrocatalytic solar cells. In the appendix detailed cooking recipes for selected material systems are offered."
Diazonium compounds are employed as a new class of coupling agents to link polymers, biomacromolecules, and other species (e. g. metallic nanoparticles) to the surface of materials. The resulting high performance materials show improved chemical and physical properties and find widespread applications. The advantage of aryl diazonium salts compared to other surface modifiers lies in their ease of preparation, rapid (electro)reduction, large choice of reactive functional groups, and strong aryl-surface covalent bonding. This unique book summarizes the current knowledge of the surface and interface chemistry of aryl diazonium salts. It covers fundamental aspects of diazonium chemistry together with theoretical calculations of surface-molecule bonding, analytical methods used for the characterization of aryl layers, as well as important applications in the field of electrochemistry, nanotechnology, biosensors, polymer coatings and materials science. Furthermore, information on other surface modifiers (amines, silanes, hydrazines, iodonium salts) is included. This collection of 14 self-contained chapters constitutes a valuable book for PhD students, academics and industrial researchers working on this hot topic.
This book discusses the developments in the synthesis and functionalization of different heterocycles based on the formation of carbon-carbon (C-C) and carbon-heteroatom (C-X) bonds using cross-dehydrogenative coupling (CDC). Consisting of 13 chapters, the book systematically describes the advances in the synthesis and functionalization of nitrogen, oxygen, and sulfur-containing heterocycles. It also discusses the various mechanistic pathways to help readers gain an in-depth understanding of the CDC reactions of heterocycles. Lastly, in order to promote green chemistry, it addresses a range of metal-free CDC reactions of heterocycles - an area that has attracted significant attention in both academic and industrial research.
A comprehensive overview and summary of recent achievements and the latest trends in bioinspired thermal materials. Following an introduction to different thermal materials and their effective heat transfer to other materials, the text discusses heat detection materials that are inspired by biological systems, such as fire beetles and butterflies. There then follow descriptions of materials with thermal management functionality, including those for evaporation and condensation, heat transfer and thermal insulation materials, as modeled on snake skins, polar bears and fire-resistant trees. A discussion of thermoresponsive materials with thermally switchable surfaces and controllable nanochannels as well as those with high thermal conductivity and piezoelectric sensors is rounded off by a look toward future trends in the bioinspired engineering of thermal materials. Straightforward and well structured, this is an essential reference for newcomers as well as experienced researchers in this exciting field.
C-H, C-O, C-C, and C-Heteroatom bond forming processes by using metal-ligand approaches for the synthesis of organic compounds of biological, pharmacological and organic nanotechnological utility are the key areas addressed in this book. Authored by a European team of leaders in the field, it brings together innovative approaches for a variety of catalysis reactions and processes frequently applied in organic synthesis into a handy reference work. It covers all major types of catalysis, including homogeneous, heterogeneous, and organocatalysis, as well as mechanistic and computational studies. Special attention is paid to the improvements in efficiency and sustainability of important catalytic processes, such as selective oxidations, hydrogenation, and cross-coupling reactions, and to their utilization in industry. The result is a valuable resource for advanced researchers in both academia and industry, as well as graduate students in organic chemistry aiming for chemo-, regio- or stereoselective synthesis of organic compounds by using novel catalytic systems.
This thesis focuses on the controlled synthesis of Pt-Ni bimetallic nanoparticles and the study of their catalytic properties. It discusses in detail the nucleation mechanism and the growth process of bimetallic systems, which is vital for a deeper understanding of the design of bimetallic catalysts. The author presents four pioneering studies: (1) syntheses of water-soluble octahedral, truncated octahedral, and cubic Pt-Ni nanocrystals and the study of their structure-activity relationship in model hydrogenation reactions; (2) a strategy for designing a concave Pt-Ni alloy using controllable chemical etching; (3) defect-dominated shape recovery of nanocrystals, which is a new synthesis strategy for trimetallic catalysts; (4) a sophisticated construction of Au islands on Pt Ni, which is an ideal trimetallic nanoframe catalyst. This thesis inspires researchers working in materials, catalysis as well as other interdisciplinary areas.
Covering most of the topics taught in university courses in quantum chemistry, this authoritative text provides modern concepts of atomic and molecular structure as well as chemical bond. Brief historical account of the origin of quantum theory, its applications to the problem of atomic spectra and atomic structure have been discussed. Electronic configuration of atoms based on the four-quantum-number system, symbols for atomic states, and classification of elements and their distribution in the periodic table have been given a comprehensive treatment. Postulates of quantum mechanics, quantum-mechanical operators, Hamiltonian operator, derivation of Schroedinger equation, its application to particle-in-a-box and to the hydrogen atom, quantization of energy levels, uncertainty principle, probability distribution functions, angular and radial wave functions, nodal properties, sectional and charge-cloud representation of atomic orbitals, etc., have been covered in detail. The valence bond and molecular orbital methods of bonding, hybridization, orbital structure of common hydrocarbons, bonding in coordination compounds based on valence bond and ligand field theories, the concept of valency, ionic and covalent bonding, bonding in metals, secondary bond forces, and so on have been discussed in a reasonable amount of detail. A unique feature of the book is the adoption of a problem solving approach. Thus, while the text has been frequently interspersed with numerous fully worked out illustrative examples to help the concepts and theories, a large number of fully solved problems have been appended at the end of each chapter (totalling nearly 300). With its lucid style and in-depth coverage, the book would be immensely useful to undergraduate and postgraduate students of general chemistry and quantum chemistry. Students of physics and materials science would also find the book an invaluable supplement.
Experimental methods employing spin resonance effects (nuclear magnetic resonance and electron spin resonance) are broadly used in molecular science due to their unique potential to reveal mechanisms of molecular motion, structure, and interactions. The developed techniques bring together biologists investigating dynamics of proteins, material science researchers looking for better electrolytes, or nanotechnology scientists inquiring into dynamics of nano-objects. Nevertheless, one can profit from the rich source of information provided by spin resonance methods only when appropriate theoretical models are available. The obtained experimental results reflect intertwined quantum-mechanical and dynamical properties of molecular systems, and to interpret them one has to first understand the quantum-mechanical principles of the underlying processes. This book concentrates on the theory of spin resonance phenomena and the relaxation theory, which have been discussed from first principles to introduce the reader to the language of quantum mechanics used to describe the behaviour of atomic nuclei and electrons. There is a long way from knowing complex formulae to apply them correctly to describe the studied system. The book shows through examples how symbols can be "replaced" in equations by using properties of real systems to formulate descriptions that link the quantities observed in spin resonance experiments with dynamics and structure of molecules.
This thesis introduces the preparation of a series of Mg-based thin films with different structures using magnetron sputtering, as well as the systematical investigation of their gaseous and electrochemical hydrogen storage properties under mild conditions. It reviews promising applications of Mg-based thin films in smart windows, hydrogen sensors and Ni-MH batteries, while also providing significant insights into research conducted on Mg-based hydrogen storage materials, especially the Mg-based films. Moreover, the unique experimental procedures and methods (including electric resistance, optical transmittance and electrochemical methods) used in this thesis will serve as a valuable reference for researchers in the field of Mg-based hydrogen storage films.
This book serves the environmentalists to track the development of photocatalytic materials and technology in the present context and to explore future trends. Photocatalysis is the most influential greener technology being researched, developed and adopted for the treatment of wastewater. The technological advancements in the area of smart hybrid photocatalytic materials have gained momentum in the present era. The rational designing of photocatalytic materials with a multi-pronged approach opens a new chapter for environmental detoxification. Other important aspects relate to the transfer of this nanostructured photocatalytic technology to real backdrops. Harnessing natural solar energy for energy and environmental roles is another crucial criterion in designing photocatalysts.
Following the publication of a first set of four volumes of SGTE compiled thermodynamic properties of inorganic substances, which dealt with pure substances (Subvolume A) and a second set of five volumes with selected thermodynamic data for binary alloy systems (Subvolume B), this set of volumes focuses on data for ternary systems for one vitally important specific class of materials, steels. Various diagrams for each system are presented, calculated from a specially developed SGTE database for steels. Background information is also presented for each system. The fundamental equations used in evaluating the data are given in the introduction to the volumes and the models used in representing the data are also described. For this volume a steel database has been compiled, consisting of 11 elements: Fe, C, N, Cr, Mn, Mo, Ni, Si, Ti, V, and W. With this selection of elements a broad range of steels and cast irons is covered. The database allows not only calculations within the included assessed systems but it is also capable of interpolating into regions which are not well-known. Typical steel databases are confined to the Fe-rich corner. Contrary to that the present compilation covers the composition range of all evaluated systems as much as possible.
This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
In this thesis Johanna Bruckner reports the discovery of the lyotropic counterpart of the thermotropic SmC* phase, which has become famous as the only spontaneously polarized, ferroelectric fluid in nature. By means of polarizing optical microscopy, X-ray diffraction and electro-optic experiments she firmly establishes aspects of the structure of the novel lyotropic liquid crystalline phase and elucidates its fascinating properties, among them a pronounced polar electro-optic effect, analogous to the ferroelectric switching of its thermotropic counterpart. The helical ground state of the mesophase raises the fundamental question of how chiral interactions are "communicated" across layers of more or less disordered and achiral solvent molecules which are located between adjacent bi-layers of the chiral amphiphile molecules. This thesis bridges an important gap between thermotropic and lyotropic liquid crystals and pioneers a new field of liquid crystal research.
Reviews in Fluorescence 2015, the eighth volume of the book serial from Springer, serves as a comprehensive collection of current trends and emerging hot topics in the field of fluorescence and closely related disciplines. It summarizes the year's progress in fluorescence and its applications, with authoritative reviews specialized enough to be attractive to professional researchers, yet also appealing to the wider audience of scientists in related disciplines of fluorescence. Reviews in Fluorescence offers an essential reference material for any research lab or company working in the fluorescence field and related areas. All academics, bench scientists, and industry professionals wishing to take advantage of the latest and greatest in the continuously emerging field of fluorescence will find it an invaluable resource.
Critically evaluated experimental data covering the densities of organic compounds are essential for both scientific and industrial applications. Knowledge of densities is important in many areas, including custody transfer of materials, product specification, development of various predictive methods, and for characterizing compounds and estimating their purity. This volume contains tables with the original literature data along with their estimated uncertainties and the evaluated data in both numerical form and as coefficients to equations with selected statistical information. When data cover a sufficient temperature range, graphical plots of the deviations of the experimental data from the recommended equation are given. A Chemical Name Index contains the IUPAC names for the compounds, as well as alternate names that often appear in practice. Also includes a Chemical Abstracts Service Registry Number Index and a list of References.
This volume provides structural data of selected proteins, physical and chemical properties of amino acids, peptides and proteins, and information on theoretical studies. The pace at which new data are being generated in the biological sciences is breathtaking. However, it also creates a problem. Vast amounts of unsurveyable information may actually turn into desinformation by obliterating the borderlines of high and low quality data. Therefore authoritative data compilations bearing the state of the art approval of experts in the field are becoming increasingly important in view of this knowledge explosion. Another aspect of science development necessitates the availability of critically reviewed data compilations. We are witnessing an ever increasing degree of interdependence between previously more or less independently evolving branches of science. For example biotechnology and the pharmaceutically sciences are thriving as much on new findings in molecular biology as they profit from structural or thermodynamic information.
This critical compilation of virial coefficients of pure gases was prepared from the virial coefficient database at the Thermodynamics Research Center, formerly at Texas A&M University, College Station, Texas and now located at the National Institute of Standards and Technology, Boulder, Colorado. The virial coefficient data in this compilation will be of interest to the theoretical chemist as it includes the many sets of accurate gas imperfection data which have been determined over the past twenty years by improved methods of gas density determination, by isochoric Burnett coupling methods and from speed of sound measurements, as well as by the more traditional techniques. The needs of the industrial chemist are met by these more reliable data and also the increased number of compounds for which data are now available.
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