The Importance of Antibonding Orbitals PDF Download

Author: Milton Orchin
Publisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 116

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Author: Raymond Chang
Publisher: University Science Books
ISBN: 9781891389337
Category : Science
Languages : en
Pages : 706

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This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.

Author: Ian Fleming
Publisher: John Wiley & Sons
ISBN: 9780471018193
Category : Science
Languages : en
Pages : 249

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Book Description
Provides a basic introduction to frontier orbital theory with a review of its applications in organic chemistry. Assuming the reader is familiar with the concept of molecular orbital as a linear combination of atomic orbitals the book is presented in a simple style, without mathematics making it accessible to readers of all levels.

Author: Ralf Steudel
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 311057831X
Category : Science
Languages : en
Pages : 843

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Book Description
The current textbook is an excellent inroduction to the chemistry of the non-metallic elements. The book begins by reviewing the key theoretical concepts of chemical bonding and the properties of different bonding types. Subsequent chapters are focused on reactions, structures and applications of the non-metallic compounds. Combining careful pedagogy and clear writing style, the textbook is a must-have for students studying inorganic chemistry.

Author: Mandeep Dalal
Publisher: Dalal Institute
ISBN: 8193872002
Category : Science
Languages : en
Pages : 480

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Book Description
An advanced-level textbook of inorganic chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Inorganic Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Stereochemistry and Bonding in Main Group Compounds: VSEPR theory, dπ -pπ bonds, Bent rule and energetic of hybridization. Chapter 2. Metal-Ligand Equilibria in Solution: Stepwise and overall formation constants and their interactions, Trends in stepwise constants, Factors affecting stability of metal complexes with reference to the nature of metal ion and ligand, Chelate effect and its thermodynamic origin, Determination of binary formation constants by pH-metry and spectrophotometry. Chapter 3. Reaction Mechanism of Transition Metal Complexes – I: Inert and labile complexes, Mechanisms for ligand replacement reactions, Formation of complexes from aquo ions, Ligand displacement reactions in octahedral complexes- acid hydrolysis, Base hydrolysis, Racemization of tris chelate complexes, Electrophilic attack on ligands. Chapter 4. Reaction Mechanism of Transition Metal Complexes – II: Mechanism of ligand displacement reactions in square planar complexes, The trans effect, Theories of trans effect, Mechanism of electron transfer reactions – types; Outer sphere electron transfer mechanism and inner sphere electron transfer mechanism, Electron exchange. Chapter 5. Isopoly and Heteropoly Acids and Salts: Isopoly and Heteropoly acids and salts of Mo and W: structures of isopoly and heteropoly anions. Chapter 6. Crystal Structures: Structures of some binary and ternary compounds such as fluorite, antifluorite, rutile, antirutile, crystobalite, layer lattices- CdI2, BiI3; ReO3, Mn2O3, corundum, pervoskite, Ilmenite and Calcite. Chapter 7. Metal-Ligand Bonding: Limitation of crystal field theory, Molecular orbital theory, octahedral, tetrahedral or square planar complexes, π-bonding and molecular orbital theory. Chapter 8. Electronic Spectra of Transition Metal Complexes: Spectroscopic ground states, Correlation and spin-orbit coupling in free ions for Ist series of transition metals, Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1 – d9 states), Calculation of Dq, B and β parameters, Effect of distortion on the d-orbital energy levels, Structural evidence from electronic spectrum, John-Tellar effect, Spectrochemical and nephalauxetic series, Charge transfer spectra, Electronic spectra of molecular addition compounds. Chapter 9. Magantic Properties of Transition Metal Complexes: Elementary theory of magneto - chemistry, Guoy’s method for determination of magnetic susceptibility, Calculation of magnetic moments, Magnetic properties of free ions, Orbital contribution, effect of ligand-field, Application of magneto-chemistry in structure determination, Magnetic exchange coupling and spin state cross over. Chapter 10. Metal Clusters: Structure and bonding in higher boranes, Wade’s rules, Carboranes, Metal Carbonyl Clusters - Low Nuclearity Carbonyl Clusters, Total Electron Count (TEC). Chapter 11. Metal-π Complexes: Metal carbonyls, structure and bonding, Vibrational spectra of metal carbonyls for bonding and structure elucidation, Important reactions of metal carbonyls; Preparation, bonding, structure and important reactions of transition metal nitrosyl, dinitrogen and dioxygen complexes; Tertiary phosphine as ligand.

Author: Igor Alabugin
Publisher: American Chemical Society
ISBN: 0841299633
Category : Science
Languages : en
Pages : 283

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Book Description
Although carbon is considered the central element of organic chemistry, the broader chemical world has one more star player—oxygen. Billions of years of evolution have filled your room with oxygen as countless cyanobacteria and plants work on changing our planet. Oxygen is everywhere—from geology to biology, from the Earth's crust to the ozone layer. This digital primer aims to analyze chemical reactivity through the prism of oxygen chemistry. The key to understanding this chemistry is the lone pairs of oxygen (i.e., the underutilized "idle" electrons that do not directly contribute to the Lewis structure of molecules). By highlighting the many roles of oxygen, we will illustrate how chemistry rises above the limitations of Lewis structures and how electrons stay neither idle nor "lone" even if they are in "lone pairs" when an oxygen atom is near a reaction center. This digital primer will introduce important types of chemical bonding that transcend undergraduate textbooks but that are likely to drive the development of new chemical reactions in the future.

Author: Lucjan Piela
Publisher: Elsevier
ISBN: 0080466761
Category : Science
Languages : en
Pages : 1122

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Book Description
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Author: Richard I. Masel
Publisher: John Wiley & Sons
ISBN: 9780471303923
Category : Technology & Engineering
Languages : en
Pages : 826

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Principles of Adsorption and Reaction on Solid Surfaces As with other books in the field, Principles of Adsorption and Reaction on Solid Surfaces describes what occurs when gases come in contact with various solid surfaces. But, unlike all the others, it also explains why. While the theory of surface reactions is still under active development, the approach Dr. Richard Masel takes in this book is to outline general principles derived from thermodynamics and reaction rate theory that can be applied to reactions on surfaces, and to indicate ways in which these principles may be applied. The book also provides a comprehensive treatment of the latest quantitative surface modeling techniques with numerous examples of their use in the fields of chemical engineering, physical chemistry, and materials science. A valuable working resource and an excellent graduate-level text, Principles of Adsorption and Reaction on Solid Surfaces provides readers with: * A detailed look at the latest advances in understanding and quantifying reactions on surfaces * In-depth reviews of all crucial background material * 40 solved examples illustrating how the methods apply to catalysis, physical vapor deposition, chemical vapor deposition, electrochemistry, and more * 340 problems and practice exercises * Sample computer programs * Universal plots of many key quantities * Detailed, class-tested derivations to help clarify key results The recent development of quantitative techniques for modeling surface reactions has led to a number of exciting breakthroughs in our understanding of what happens when gases come in contact with solid surfaces. While many books have appeared describing various experimental modeling techniques and the results obtained through their application, until now, there has been no single-volume reference devoted to the fundamental principles governing the processes observed. The first book to focus on governing principles rather than experimental techniques or specific results, Principles of Adsorption and Reaction on Solid Surfaces provides students and professionals with a quantitative treatment of the application of principles derived from the fields of thermodynamics and reaction rate theory to the investigation of gas adsorption and reaction on solid surfaces. Writing for a broad-based audience including, among others, chemical engineers, chemists, and materials scientists, Dr. Richard I. Masel deftly balances basic background in areas such as statistical mechanics and kinetics with more advanced applications in specialized areas. Principles of Adsorption and Reaction on Solid Surfaces was also designed to provide readers an opportunity to quickly familiarize themselves with all of the important quantitative surface modeling techniques now in use. To that end, the author has included all of the key equations involved as well as numerous real-world illustrations and solved examples that help to illustrate how the equations can be applied. He has also provided computer programs along with universal plots that make it easy for readers to apply results to their own problems with little computational effort. Principles of Adsorption and Reaction on Solid Surfaces is a valuable working resource for chemical engineers, physical chemists, and materials scientists, and an excellent text for graduate students in those disciplines.

Author: Robert J. Ouellette
Publisher: Elsevier
ISBN: 0128010827
Category : Science
Languages : en
Pages : 1240

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Organic Chemistry provides a comprehensive discussion of the basic principles of organic chemistry in their relation to a host of other fields in both physical and biological sciences. This book is written based on the premise that there are no shortcuts in organic chemistry, and that understanding and mastery cannot be achieved without devoting adequate time and attention to the theories and concepts of the discipline. It lays emphasis on connecting the basic principles of organic chemistry to real world challenges that require analysis, not just recall. This text covers topics ranging from structure and bonding in organic compounds to functional groups and their properties; identification of functional groups by infrared spectroscopy; organic reaction mechanisms; structures and reactions of alkanes and cycloalkanes; nucleophilic substitution and elimination reactions; conjugated alkenes and allylic systems; electrophilic aromatic substitution; carboxylic acids; and synthetic polymers. Throughout the book, principles logically evolve from one to the next, from the simplest to the most complex examples, with abundant connections between the text and real world applications. There are extensive examples of biological relevance, along with a chapter on organometallic chemistry not found in other standard references. This book will be of interest to chemists, life scientists, food scientists, pharmacists, and students in the physical and life sciences. Contains extensive examples of biological relevance Includes an important chapter on organometallic chemistry not found in other standard references Extended, illustrated glossary Appendices on thermodynamics, kinetics, and transition state theory

Author: Robert S. Mulliken
Publisher: University of Chicago Press
ISBN: 9780226548470
Category : Science
Languages : en
Pages : 1180

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Book Description
This book brings together in one volume the most important papers of Robert S. Mulliken, who was awarded the 1966 Nobel Prize in chemistry for his seminal work on chemical bonds and the electronic structures of molecules. The papers collected here range from suggestive to closely detailed analyses of various topics in the theory of spectra and electronic structure of diatomic and polyatomic molecules. Professor Mulliken has written introductory commentaries on each of the volume's seven parts. Included in the volume are essays of general as well as scientific interest; they are grouped under thematic headings. Part I contains those papers which are of historical significance. An autobiographical piece by Dr. Mulliken offers a glimpse of the many famous people whom he has known. Also reprinted is the text of his Nobel Prize acceptance speech. At the end is a list of his students and other co-workers, and a complete bibliography of his papers. Part II includes Mulliken's work on band spectra and chemistry as well as his research on the assignment of quantum numbers for electrons in molecules. Part III surveys the author's early work on the bonding power of electrons and the method of molecular orbitals. Included is a discussion of the structure and spectra of a number of important types of molecules. The papers in part IV focus on the intensities of electronic transitions in molecular spectra. This incorporates Mulliken's work on charge transfer and the halogen molecule spectra. The problems addressed in part V center on the spectra and structure of polyatomic molecules. Reprinted here is a report which Mulliken prepared on notation for polyatomic molecules. Part VI is devoted to the problem of hyperconjugation. These papers develop and apply the concept of hyperconjugation and explore its relation to the concept of conjugation. The last part offers some of the most important papers from the author's postwar publications. The central focus is on molecular orbital theory, the area in which Mulliken's Nobel-winning discoveries were made.