Introduction To Molecular Orbital Theory

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An Introduction To Molecular Orbitals

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Author : Yves Jean
language : en
Publisher: Oxford University Press on Demand
Release Date : 1993

An Introduction To Molecular Orbitals written by Yves Jean and has been published by Oxford University Press on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Science categories.

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.

Orbital Interaction Theory Of Organic Chemistry

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Author : Arvi Rauk
language : en
Publisher: John Wiley & Sons
Release Date : 2004-04-07

Orbital Interaction Theory Of Organic Chemistry written by Arvi Rauk and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04-07 with Science categories.

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.

H Ckel Molecular Orbital Theory

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Author : Keith Yates
language : en
Publisher: Academic Press
Release Date : 1978-01-28

H Ckel Molecular Orbital Theory written by Keith Yates and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1978-01-28 with Science categories.

Huckel Molecular Orbital Theory aims to be a simple, descriptive, and non-mathematical introduction to the Huckel molecular orbital theory and its applications in organic chemistry, thus the more basic text found in the book. The book, after an introduction to related concepts such as quantum mechanics and chemical bonding, discusses the Huckel molecular orbital theory and its basic assumptions; the variation principle and the basic Huckel method; and the use of symmetry properties in simplifying Huckel method orbital calculations. The book also covers other related topics such as the extensions and improvements of the simple Huckel method; the quantitative significance Huckel molecular orbital results; and the principle of conservation of orbital symmetry. The text is recommended for undergraduate students of organic chemistry who wish to be acquainted with the basics of the Huckel molecular orbital theory.

Sigma Molecular Orbital Theory

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Author : Oktay Sinanoğlu
language : en
Publisher:
Release Date : 1970-01-01

Sigma Molecular Orbital Theory written by Oktay Sinanoğlu and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970-01-01 with Molecular orbitals categories.

In a small Puritan town in 1692 where one's life is dedicated to the service of God, several teenage girls are discovered in the woods and are accused of engaging in "The Devil's" work. As time goes by the village becomes consumed by cries of witchcraft.

Molecular Orbitals Of Transition Metal Complexes

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Author : Yves Jean
language : en
Publisher: OUP Oxford
Release Date : 2005-03-24

Molecular Orbitals Of Transition Metal Complexes written by Yves Jean and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-03-24 with Science categories.

This book starts with the most elementary ideas of molecular orbital theory and leads the reader to an understanding of the electronic structure, geometry and reactivity of transition metal complexes. The pedagogical aim is to give the student a theoretical method of analysis which relies on some simple ideas (symmetry and overlap), applicable to problems of varying complexity.

Molecular Structure And Bonding

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Author : Benjamin M. Gimarc
language : en
Publisher:
Release Date : 1979

Molecular Structure And Bonding written by Benjamin M. Gimarc and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1979 with Science categories.

Symmetry In Bonding And Spectra

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Author : Bodie E. Douglas
language : en
Publisher: Academic Press
Release Date : 2012-12-02

Symmetry In Bonding And Spectra written by Bodie E. Douglas and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.

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.

Orbital Interactions In Chemistry

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Author : Thomas A. Albright
language : en
Publisher: John Wiley & Sons
Release Date : 2013-03-28

Orbital Interactions In Chemistry written by Thomas A. Albright and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-28 with Science categories.

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 Textbook Of Inorganic Chemistry Volume 1

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Author : Mandeep Dalal
language : en
Publisher: Dalal Institute
Release Date : 2017-01-01

A Textbook Of Inorganic Chemistry Volume 1 written by Mandeep Dalal and has been published by Dalal Institute this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-01-01 with Science categories.

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.

Introduction To Molecular Orbital Theory

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Author : Arno Liberles
language : en
Publisher:
Release Date : 1966

Introduction To Molecular Orbital Theory written by Arno Liberles and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1966 with Molecular orbitals categories.