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Many courses dealing with the material in this text are called "Applications of Group Theory." Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustrate theory and applications or introduce special points. Extensive problem sets cover the important methods and applications, with the answers in the appendix.
Informal, effective undergraduate-level text introduces vibrational and electronic spectroscopy, presenting applications of group theory to the interpretation of UV, visible, and infrared spectra without assuming a high level of background knowledge. 200 problems with solutions. Numerous illustrations. "A uniform and consistent treatment of the subject matter." — Journal of Chemical Education.
Symmetry and group theory provide us with a formal method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful method that underlies many apparently disparate phenomena. Symmetry allows us to accurately describe the types of bonding that can occur between atoms or groups of atoms in molecules. It also governs the transitions that may occur between energy levels in molecular systems, which in turn allows us to predict the absorption properties of molecules and hence their spectra. Molecular Symmetry lays out the formal language used in the area using illustrative examples of particular molecules throughout. It then applies the ideas of symmetry to describe molecular structure, bonding in molecules and consider the implications in spectroscopy. Topics covered include: Symmetry elements Symmetry operations and products of operations Point groups used with molecules Point group representations, matrices and basis sets Reducible and irreducible representations Applications in vibrational spectroscopy Symmetry in chemical bonding Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy in a clear and accessible manner. Each chapter ends with a summary of learning points, a selection of self-test questions, and suggestions for further reading. A set of appendices includes templates for paper models which will help students understand symmetry groups. Molecular Symmetry is a must-have introduction to this fundamental topic for students of chemistry, and will also find a place on the bookshelves of postgraduates and researchers looking for a broad and modern introduction to the subject.
Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.
The basics of group theory and its applications to themes such as the analysis of vibrational spectra and molecular orbital theory are essential knowledge for the undergraduate student of inorganic chemistry. The second edition of Group Theory for Chemists uses diagrams and problem-solving to help students test and improve their understanding, including a new section on the application of group theory to electronic spectroscopy.Part one covers the essentials of symmetry and group theory, including symmetry, point groups and representations. Part two deals with the application of group theory to vibrational spectroscopy, with chapters covering topics such as reducible representations and techniques of vibrational spectroscopy. In part three, group theory as applied to structure and bonding is considered, with chapters on the fundamentals of molecular orbital theory, octahedral complexes and ferrocene among other topics. Additionally in the second edition, part four focuses on the application of group theory to electronic spectroscopy, covering symmetry and selection rules, terms and configurations and d-d spectra.Drawing on the author's extensive experience teaching group theory to undergraduates, Group Theory for Chemists provides a focused and comprehensive study of group theory and its applications which is invaluable to the student of chemistry as well as those in related fields seeking an introduction to the topic. - Provides a focused and comprehensive study of group theory and its applications, an invaluable resource to students of chemistry as well as those in related fields seeking an introduction to the topic - Presents diagrams and problem-solving exercises to help students improve their understanding, including a new section on the application of group theory to electronic spectroscopy - Reviews the essentials of symmetry and group theory, including symmetry, point groups and representations and the application of group theory to vibrational spectroscopy
This book addresses the nature of the chemical bond in inorganic and coordination compounds. In particular, it explains how general symmetry rules can describe chemical bond of simple inorganic molecules. Since the complexity of studying even simple molecules requires approximate methods, this book introduces a quantum mechanical treatment taking into account the geometric peculiarities of the chemical compound. In the case of inorganic molecules, a convenient approximation comes from symmetry, which constrains both the electronic energies and the chemical bonds. The book also gives special emphasis on symmetry rules and compares the use of symmetry operators with that of Hamiltonian operators. Where possible, the reactivity of molecules is also rationalized in terms of these symmetry properties. As practical examples, electronic spectroscopy and magnetism give experimental confirmation of the predicted electronic energy levels. Adapted from university lecture course notes, this book is the ideal companion for any inorganic chemistry course dealing with group theory.
The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given in context of electronic and vibrational spectroscopy as well as chemical reactions following orbital symmetry rules. Exercises and examples compile and deepen the content in a lucid manner.
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.
Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology