Atomic and Molecular Orbital Theory

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Publisher :
ISBN 13 :
Total Pages : 392 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Atomic and Molecular Orbital Theory by : Peter O'D. Offenhartz

Download or read book Atomic and Molecular Orbital Theory written by Peter O'D. Offenhartz and published by . This book was released on 1970 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Structure and Bonding

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Publisher : University Science Books
ISBN 13 : 9780935702613
Total Pages : 516 pages
Book Rating : 4.7/5 (26 download)

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Book Synopsis Chemical Structure and Bonding by : Roger L. DeKock

Download or read book Chemical Structure and Bonding written by Roger L. DeKock and published by University Science Books. This book was released on 1989 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems."--

Frontier Orbitals and Organic Chemical Reactions

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Publisher : John Wiley & Sons
ISBN 13 : 9780471018193
Total Pages : 249 pages
Book Rating : 4.0/5 (181 download)

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Book Synopsis Frontier Orbitals and Organic Chemical Reactions by : Ian Fleming

Download or read book Frontier Orbitals and Organic Chemical Reactions written by Ian Fleming and published by John Wiley & Sons. This book was released on 1976-01-01 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Orbital Interactions in Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 047108039X
Total Pages : 853 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Orbital Interactions in Chemistry by : Thomas A. Albright

Download or read book Orbital Interactions in Chemistry written by Thomas A. Albright and published by John Wiley & Sons. This book was released on 2013-04-08 with total page 853 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find: * Two new chapters dedicated to surface science and magneticproperties * Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry * Expanded treatment of group theory * New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.

A Chemist's Guide to Valence Bond Theory

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Publisher : John Wiley & Sons
ISBN 13 : 0470192585
Total Pages : 332 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis A Chemist's Guide to Valence Bond Theory by : Sason S. Shaik

Download or read book A Chemist's Guide to Valence Bond Theory written by Sason S. Shaik and published by John Wiley & Sons. This book was released on 2007-12-10 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.

Physical Chemistry for the Biosciences

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Publisher : University Science Books
ISBN 13 : 9781891389337
Total Pages : 706 pages
Book Rating : 4.3/5 (893 download)

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Book Synopsis Physical Chemistry for the Biosciences by : Raymond Chang

Download or read book Physical Chemistry for the Biosciences written by Raymond Chang and published by University Science Books. This book was released on 2005-02-11 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

An Introduction to Molecular Orbitals

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Publisher : Oxford University Press on Demand
ISBN 13 : 9780195069181
Total Pages : 337 pages
Book Rating : 4.0/5 (691 download)

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Book Synopsis An Introduction to Molecular Orbitals by : Yves Jean

Download or read book An Introduction to Molecular Orbitals written by Yves Jean and published by Oxford University Press on Demand. This book was released on 1993 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text for advanced undergraduate and graduate students guides the reader through a smooth progression from the most elementary ideas of molecular orbital theory to an understanding of the electronic structure, geometry, and reactivity of large molecules. It starts with simple molecules and proceeds to relatively large organometallic complexes. The slant is theoretical, but in the last chapter the authors strengthen the link between theory and experiment. Focusing on basic concepts, the authors take a qualitative approach, which enables this text to fill a void in the undergraduate curriculum. The book is intended as a core or supplementary text in an advanced chemistry course.

Molecular Orbital Theory

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ISBN 13 :
Total Pages : 300 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Molecular Orbital Theory by : C. J. Ballhausen

Download or read book Molecular Orbital Theory written by C. J. Ballhausen and published by . This book was released on 1965 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods

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Publisher : Springer Science & Business Media
ISBN 13 : 3642930506
Total Pages : 114 pages
Book Rating : 4.6/5 (429 download)

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Book Synopsis Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods by : G.H. Wagniere

Download or read book Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods written by G.H. Wagniere and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt: These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi nario Latinoamericano de QUimica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of the University of Zurich, as well as my former students Dr. J. Kuhn, Dr. W. Hug and Dr. R. Geiger. The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. Within the last decade the development and refinement of ab initio computations has tended to overshadow the usefulness of semiempirical methods. However, both approaches have their justification. Ab initio methods are designed for accurate predictions, at the expense of greater computational labor. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro perties and in the search for regularities within given classes of larger molecules. The reader is supposed to have had some previous basic instruc tion in quantum mechanics, such as is now offered in many uni versities to chemists in their third or fourth year of study. The bibliography should encourage the reader to consult other texts, in particular also selected publications in scientific journals.

Applications of MO Theory in Organic Chemistry

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Publisher : Elsevier
ISBN 13 : 148316392X
Total Pages : 640 pages
Book Rating : 4.4/5 (831 download)

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Book Synopsis Applications of MO Theory in Organic Chemistry by : I.G. Csizmadia

Download or read book Applications of MO Theory in Organic Chemistry written by I.G. Csizmadia and published by Elsevier. This book was released on 2013-09-17 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of MO Theory in Organic Chemistry is a documentation of the proceedings of the First Theoretical Organic Chemistry meeting. This text is divided into five sections. Section A contains contributions ranging from the stereochemistry of stable molecules, radicals, and molecular ions, through hydrogen bonding and ion solvation to mathematical analyses of energy hypersurfaces. Section B deals with theoretical studies of organic reactions, including basecatalyzed hydrolysis, protonation, epoxidation, and electrophilic addition to double and triple bonds. Section C consists of topics starting with a qualitative configuration interaction treatment of thermal and photochemical organic reactions, followed by ab initio treatments of photochemical intermediates and a consideration of the role of Rydberg and valence-shell states in photochemistry. Section D provides analyses of methods for the determination and characterization of localized MO and discussions of correlated electron pair functions. Section E covers a very wide range from the application of statistical physics to the treatment of molecular interactions with their environments to a challenge to theoretical organic chemists in the field of natural products, and an introduction to information theory in organic chemistry. This book is a good source of information for students and researchers conducting study on the many areas in theoretical organic chemistry.

Selected Papers of Robert S. Mulliken

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Publisher : University of Chicago Press
ISBN 13 : 9780226548470
Total Pages : 1180 pages
Book Rating : 4.5/5 (484 download)

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Book Synopsis Selected Papers of Robert S. Mulliken by : Robert S. Mulliken

Download or read book Selected Papers of Robert S. Mulliken written by Robert S. Mulliken and published by University of Chicago Press. This book was released on 1975-08 with total page 1180 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Electrons and Chemical Bonding

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Publisher :
ISBN 13 :
Total Pages : 223 pages
Book Rating : 4.:/5 (946 download)

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Book Synopsis Electrons and Chemical Bonding by :

Download or read book Electrons and Chemical Bonding written by and published by . This book was released on 1965 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Orbitals and Organic Chemical Reactions

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Publisher : John Wiley & Sons
ISBN 13 : 1119964652
Total Pages : 389 pages
Book Rating : 4.1/5 (199 download)

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Book Synopsis Molecular Orbitals and Organic Chemical Reactions by : Ian Fleming

Download or read book Molecular Orbitals and Organic Chemical Reactions written by Ian Fleming and published by John Wiley & Sons. This book was released on 2011-08-31 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming

AB INITIO Molecular Orbital Theory

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Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 572 pages
Book Rating : 4.:/5 (319 download)

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Book Synopsis AB INITIO Molecular Orbital Theory by : Warren J. Hehre

Download or read book AB INITIO Molecular Orbital Theory written by Warren J. Hehre and published by Wiley-Interscience. This book was released on 1986-03-24 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. It draws on a series of models that have already received widespread application and are available for new applications.

Orbital Interaction Theory of Organic Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 0471461849
Total Pages : 360 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Orbital Interaction Theory of Organic Chemistry by : Arvi Rauk

Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.

Atomic and Molecular Physics

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Publisher : IOP ebooks
ISBN 13 : 9780750357326
Total Pages : 0 pages
Book Rating : 4.3/5 (573 download)

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Book Synopsis Atomic and Molecular Physics by : Luciano Colombo

Download or read book Atomic and Molecular Physics written by Luciano Colombo and published by IOP ebooks. This book was released on 2023-10-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition course text introduces the fundamental quantum physics of atoms and molecules. With revised and extended content, this book is the first volume in a series of three aiming to present a broad coverage of atomic, molecular, solid-state and statistical physics. Divided into three parts, the first provides a historical perspective leading to the contemporary view of atomic and molecular physics, outlining the principles of non-relativistic quantum mechanics. The second covers the physical description of atoms and their interaction with radiation, whilst the third deals with molecular physics. The book's pedagogical features include conceptual layout sections that define the goals of each chapter, a simplified but rigorous mathematical apparatus, and a thorough discussion of approximations used to develop the adopted physical models. Key Features Fills a gap for a self-contained undergraduate textbook in atomic and molecular physics Is tailored for a one-semester course Focuses on a selected set of topics, whilst also providing substantial, in-depth coverage of the subject Emphasises phenomenology rather than mathematics/formalism Uses various pedagogical features, including end-of-chapter exercises with solutions

A Textbook of Inorganic Chemistry – Volume 1

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Publisher : Dalal Institute
ISBN 13 : 8193872002
Total Pages : 480 pages
Book Rating : 4.1/5 (938 download)

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Book Synopsis A Textbook of Inorganic Chemistry – Volume 1 by : Mandeep Dalal

Download or read book A Textbook of Inorganic Chemistry – Volume 1 written by Mandeep Dalal and published by Dalal Institute. This book was released on 2017-01-01 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.