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

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.

Molecular Orbitals of Transition Metal Complexes

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Publisher : Oxford University Press on Demand
ISBN 13 : 0198530935
Total Pages : 288 pages
Book Rating : 4.1/5 (985 download)

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Book Synopsis Molecular Orbitals of Transition Metal Complexes by : Yves Jean

Download or read book Molecular Orbitals of Transition Metal Complexes written by Yves Jean and published by Oxford University Press on Demand. This book was released on 2005-03-24 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (e.g. structure and reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.

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.

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.

Molecular Orbital Calculations Using Chemical Graph Theory

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Publisher : Springer Science & Business Media
ISBN 13 : 3642778941
Total Pages : 123 pages
Book Rating : 4.6/5 (427 download)

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Book Synopsis Molecular Orbital Calculations Using Chemical Graph Theory by : Jerry R. Dias

Download or read book Molecular Orbital Calculations Using Chemical Graph Theory written by Jerry R. Dias and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 123 pages. Available in PDF, EPUB and Kindle. Book excerpt: Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for this book. The audience this book is directed toward are senior undergraduate and beginning graduate students as well as practicing bench chemists who have a desire to develop conceptual tools for understanding chemical phenomena. Although, ab initio and more advanced semi-empirical MO methods are regarded as being more reliable than HMO in an absolute sense, there is good evidence that HMO provides reliable relative answers particularly when comparing related molecular species. Thus, HMO can be used to rationalize electronic structure in 1t-systems, aromaticity, and the shape use HMO to gain insight of simple molecular orbitals. Experimentalists still into subtle electronic interactions for interpretation of UV and photoelectron spectra. Herein, it will be shown that one can use graph theory to streamline their HMO computational efforts and to arrive at answers quickly without the aid of a group theory or a computer program of which the experimentalist has no understanding. The merging of mathematical graph theory with chemical theory is the formalization of what most chemists do in a more or less intuitive mode. Chemists currently use graphical images to embody chemical information in compact form which can be transformed into algebraical sets. Chemical graph theory provides simple descriptive interpretations of complicated quantum mechanical calculations and is, thereby, in-itself-by-itself an important discipline of study.

Molecular Orbitals and Their Energies, Studied by the Semiempirical HAM Method

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Publisher : Springer
ISBN 13 :
Total Pages : 306 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Molecular Orbitals and Their Energies, Studied by the Semiempirical HAM Method by : Lindholm E. (Einar)

Download or read book Molecular Orbitals and Their Energies, Studied by the Semiempirical HAM Method written by Lindholm E. (Einar) and published by Springer. This book was released on 1985 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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.

Molecular Orbitals

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Publisher : American Chemical Society
ISBN 13 : 0841299552
Total Pages : 202 pages
Book Rating : 4.8/5 (412 download)

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Book Synopsis Molecular Orbitals by : Pierpaolo (Pier) Morgante

Download or read book Molecular Orbitals written by Pierpaolo (Pier) Morgante and published by American Chemical Society. This book was released on 2023-04-19 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron orbitals of molecules, or molecular orbitals (MOs), are ubiquitous in chemistry. It is difficult to imagine modern research in chemistry, materials chemistry, chemical engineering, and related fields—in the broader sense—without the insight that is offered by the description of electronic structure in terms of atomic and molecular orbitals. Despite its importance, orbital theory, and MO theory, in particular, is not always taught rigorously in the chemistry curriculum. This primer is meant to introduce the aspiring chemist to the ideas underlying MO theory, to make it clear what MOs are and what they are not, and to showcase selected qualitative and quantitative applications of MO theory with a strong emphasis on the visualization of orbitals.

Electron Densities in Molecular and Molecular Orbitals

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Publisher : Elsevier
ISBN 13 : 032316112X
Total Pages : 117 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Electron Densities in Molecular and Molecular Orbitals by : J.R. Van Wazer

Download or read book Electron Densities in Molecular and Molecular Orbitals written by J.R. Van Wazer and published by Elsevier. This book was released on 2012-12-02 with total page 117 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Densities in Molecules and Molecular Orbitals aims to explain the subject of molecular orbitals without having to rely much on its mathematical aspect, making it more approachable to those who are new to quantum chemistry. The book covers topics such as orbitals in quantum-chemical calculations; electronic ionizations and transitions; molecular-orbital change distributions; orbital transformations and calculations not involving orbitals; and electron densities and shapes in atoms and molecules. Also included in the book are the cross-sectional plots of electron densities of compounds such as organic compounds like methane, ethane, and ethylene; monomeric lithium fluoride and monomeric methyl lithium; hydrogen cyanide and methinophosphide; and monomeric borane and diborane. The text is recommended for those who have begun taking an interest in quantum chemistry but do not wish to deal yet with the mathematics part of the subject.

Imaging and Manipulating Molecular Orbitals

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Publisher : Springer Science & Business Media
ISBN 13 : 3642388094
Total Pages : 202 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Imaging and Manipulating Molecular Orbitals by : Leonhard Grill

Download or read book Imaging and Manipulating Molecular Orbitals written by Leonhard Grill and published by Springer Science & Business Media. This book was released on 2013-08-16 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Imaging and Manipulating Molecular Orbitals celebrates the 60th anniversary of the first image of a single molecule by E. Müller. This book summarizes the advances in the field from various groups around the world who use a broad range of experimental techniques: scanning probe microscopy (STM and AFM), field emission microscopy, transmission electron microscopy, attosecond tomography and photoemission spectroscopy. The book is aimed at those who are interested in the field of molecular orbital imaging and manipulation. Included in the book are a variety of experimental techniques in combination with theoretical approaches which describe the spatial distribution and energies of the molecular orbitals. The goal is to provide the reader with an up-to-date summary on the latest developments in this field from various points of view.

Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method

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Publisher : Springer Science & Business Media
ISBN 13 : 3642455956
Total Pages : 301 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method by : Einar Lindholm

Download or read book Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method written by Einar Lindholm and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970's measured photo electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons we ( together with C. Fridh ) constructed in 1972 a purely empirical procedure, SPINDO [1] which has proved to be useful, but the extension to molecules with hetero atoms appeared to be difficult. One of us ( L.A.) proposed then another purely ~~E!E!~~! EE2~~~~E~ ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slater's shielding concept. The self-repulsion was compensated by a term "-1". The §~~2~~_~ff2E~, HAM/2 [2] , started from the total energy E:. of the molecule. The atomic parts of L used the Slater shielding constants, and the bond parts of E. were taken from SPINDO. The Fock matrix elements Fpv were then obtained from E in a conventional way.

The Organic Chemist's Book of Orbitals

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Publisher : Elsevier
ISBN 13 : 0323155960
Total Pages : 320 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis The Organic Chemist's Book of Orbitals by : William Jorgensen

Download or read book The Organic Chemist's Book of Orbitals written by William Jorgensen and published by Elsevier. This book was released on 2012-12-02 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Organic Chemist's Book of Orbitals focuses on the mechanisms, stereochemistry, and reactivity of molecular orbitals. Composed of four chapters, the book outlines how molecular orbitals are created by delocalization. Concerns include CC and CH single-bond orbitals; bond orbitals and group orbitals; and the localized orbitals of CH2 and CH3 groups. Schematic diagrams are presented to show the nature, reactions, and compositions of molecular orbitals. The text offers a list of molecules and orbital occupancies. Orbital drawings are presented to show the differences of the molecular orbitals of hydrogen, water, ammonia, methane, nitrogen, carbon monoxide, and acetylene. The book also provides an index of references for the molecular geometries and orbital energies employed in the orbital drawings. Considering the weight of data presented, the book is a great find for readers interested in studying molecular orbitals.

Orbitals in Chemistry

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Publisher : Cambridge University Press
ISBN 13 : 9780521666497
Total Pages : 336 pages
Book Rating : 4.6/5 (664 download)

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Book Synopsis Orbitals in Chemistry by : Victor M. S. Gil

Download or read book Orbitals in Chemistry written by Victor M. S. Gil and published by Cambridge University Press. This book was released on 2000-08-10 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a unified and up-to-date discussion of the role of atomic and molecular orbitals in chemistry, from the quantum mechanical foundations to the recent developments and applications. The discussion is mainly qualitative, largely based on symmetry arguments. It is felt that a sound mastering of the concepts and qualitative interpretations is needed, especially when students are becoming more and more familiar with numerical calculations based on atomic and molecular orbitals. The text is mathematically less demanding than most traditional quantum chemistry books but still retains clarity and rigour. The physical insight is maximized and abundant illustrations are used. The relationships between the more formal quantum mechanical formalisms and the traditional chemical descriptions of chemical bonding are critically established. This book is of primary interest to undergraduate chemistry students and others taking courses of which chemistry is a significant part.

Elements of the P Block

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Publisher : Royal Society of Chemistry
ISBN 13 : 9780854046904
Total Pages : 318 pages
Book Rating : 4.0/5 (469 download)

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Book Synopsis Elements of the P Block by : Charlie Harding

Download or read book Elements of the P Block written by Charlie Harding and published by Royal Society of Chemistry. This book was released on 2002 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the chemistry of the non-metallic elements (the halogens, boron, carbon, nitrogen, oxygen, silicon, phosphorus and sulfur) and uses their role in agriculture (for example, nitrogen and sulfur), industry (for example, sulfuric acid), and everyday life (for example, the chlorination of drinking water) to illustrate this chemistry. Their role in organic chemistry and biochemistry is also emphasized. Two interactive CD-ROMs accompany the book, incorporating electronic questions that facilitate revision/consolidation. This book is part of The Molecular World series which aims to provide a broad foundation in chemistry.

The Molecular Orbital Theory of Organic Chemistry

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Publisher :
ISBN 13 :
Total Pages : 520 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis The Molecular Orbital Theory of Organic Chemistry by : Michael James Steuart Dewar

Download or read book The Molecular Orbital Theory of Organic Chemistry written by Michael James Steuart Dewar and published by . This book was released on 1969 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Orbital Theory

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Publisher :
ISBN 13 :
Total Pages : 296 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Molecular Orbital Theory by : Carl Johan Ballhausen

Download or read book Molecular Orbital Theory written by Carl Johan Ballhausen and published by . This book was released on 1964 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: