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Molecular Symmetry

Molecular Symmetry PDF

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Author: David Willock
Publisher: John Wiley & Sons
ISBN: 0470853476
Size: 55.83 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 438
View: 654

Book Description: Symmetry and group theory provide us with a rigorous method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful concept 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, leading to a predictive understanding of the absorption properties of molecules and hence their spectra. Molecular Symmetry lays out the formal language used in the area, with illustrative examples of particular molecules throughout. It then applies the ideas of symmetry and group theory to describe molecular structure, bonding in molecules and to 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 Molecular orbital theory of chemical bonding Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy and bonding 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 operations and cover key aspects of the material in depth. 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.


Fundamentals Of Molecular Symmetry

Fundamentals of Molecular Symmetry PDF

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Author: P.R. Bunker
Publisher: CRC Press
ISBN: 1351989855
Size: 33.83 MB
Format: PDF
Category : Science
Languages : en
Pages : 358
View: 4278

Book Description: 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.


Molecular Symmetry And Spectroscopy

Molecular Symmetry and Spectroscopy PDF

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Author: Philip Bunker
Publisher: Elsevier
ISBN: 032315025X
Size: 36.51 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 440
View: 3884

Book Description: Molecular Symmetry and Spectroscopy deals with the use of group theory in quantum mechanics in relation to problems in molecular spectroscopy. It discusses the use of the molecular symmetry group, whose elements consist of permutations of identical nuclei with or without inversion. After reviewing the permutation groups, inversion operation, point groups, and representation of groups, the book describes the use of representations for labeling molecular energy. The text explains an approximate time independent Schrödinger equation for a molecule, as well as the effect of a nuclear permutation or the inversion of E* on such equation. The book also examines the expression for the complete molecular Hamiltonian and the several groups of operations commuting with the Hamiltonian. The energy levels of the Hamiltonian can then be symmetrically labeled by the investigator using the irreducible representations of these groups. The text explains the two techniques to change coordinates in a Schrödinger equation, namely, (1) by using a diatomic molecule in the rovibronic Schrödinger equation, and (2) by a rigid nonlinear polyatomic molecule. The book also explains that using true symmetry, basis symmetry, near symmetry, and near quantum numbers, the investigator can label molecular energy levels. The text can benefit students of molecular spectroscopy, academicians, and investigators of molecular chemistry or quantum mechanics.


Molecular Symmetry And Group Theory

Molecular Symmetry and Group Theory PDF

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Author: Alan Vincent
Publisher: John Wiley & Sons
ISBN: 1118723384
Size: 32.84 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 224
View: 4665

Book Description: This substantially revised and expanded new edition of the bestselling textbook, addresses the difficulties that can arise with the mathematics that underpins the study of symmetry, and acknowledges that group theory can be a complex concept for students to grasp. Written in a clear, concise manner, the author introduces a series of programmes that help students learn at their own pace and enable to them understand the subject fully. Readers are taken through a series of carefully constructed exercises, designed to simplify the mathematics and give them a full understanding of how this relates to the chemistry. This second edition contains a new chapter on the projection operator method. This is used to calculate the form of the normal modes of vibration of a molecule and the normalised wave functions of hybrid orbitals or molecular orbitals. The features of this book include: * A concise, gentle introduction to symmetry and group theory * Takes a programmed learning approach * New material on projection operators, and the calcultaion of normal modes of vibration and normalised wave functions of orbitals This book is suitable for all students of chemistry taking a first course in symmetry and group theory.


Elements Of Molecular Symmetry

Elements of Molecular Symmetry PDF

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Author: Yngve Öhrn
Publisher: John Wiley & Sons
ISBN: 9780471363231
Size: 61.49 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 304
View: 7189

Book Description: A unique, much-needed introduction to molecular symmetry and group theory Elements of Molecular Symmetry takes the topic of group theory a step further than most books, presenting a quantum chemistry treatment useful for computational, quantum, physical, and inorganic chemists alike. Clearly explaining how general groups and group algebra describe molecules, Yngve Öhrn first develops the theory, then provides coverage not only for point groups, but also permutation groups, space groups, and Lie groups. With over three decades of teaching experience, Dr. Öhrn brings to the discussion unprecedented depth and clarity, incorporating rigorous topics at a level accessible to anyone with basic knowledge of calculus and algebra. This unique and timely book: * Extends coverage to molecular orbital theory, * Utilizes powerful examples to illustrate basic concepts * Contains introductory material on space groups and continuous groups, including point-group character tables * Provides a solid background for exploring the theoretical literature


Molecular Symmetry Super Rotation And Semiclassical Motion

Molecular Symmetry  Super Rotation  and Semiclassical Motion PDF

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Author: Hanno Schmiedt
Publisher: Springer
ISBN: 3319660713
Size: 24.57 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 171
View: 7192

Book Description: This book presents a range of fundamentally new approaches to solving problems involving traditional molecular models. Fundamental molecular symmetry is shown to open new avenues for describing molecular dynamics beyond standard perturbation techniques. Traditional concepts used to describe molecular dynamics are based on a few fundamental assumptions, the ball-and-stick picture of molecular structure and the respective perturbative treatment of different kinds of couplings between otherwise separate motions. The book points out the conceptual limits of these models and, by focusing on the most essential idea of theoretical physics, namely symmetry, shows how to overcome those limits by introducing fundamentally new concepts. The book begins with an introduction to molecular symmetry in general, followed by a discussion of nuclear spin symmetry. Here, a new correlation between identical particle exchange and spin angular momentum symmetry of nuclei is exhibited. The central part of the book is the discussion of extremely floppy molecules, which are not describable in the framework of traditional theories. The book introduces a fundamentally new approach to describing the molecular dynamics of these molecules - the super-rotor model, which is based on a five-dimensional symmetry that has never been observed in molecules before. By applying the super-rotor theory to the prototype of floppy molecules, protonated methane, this model can consistently predict the symmetry and energy of low-energy states, which were characterized experimentally only a few years ago. The theoretical predictions agree with the experimental results, which makes the prospect of further developing the super-rotor theory and applying it to other molecules a promising one. In the final section, the book also covers the topic of ultrafast rotations, where usual quantum calculations reach their natural limits. A semi-classical method for determining rotational energies, developed in the early 1990s, is shown to be attachable to quantum calculations of the vibrational states. This new combined method is suitable for efficiently calculating ro-vibrational energies, even for molecular states with large angular momentum.


Introduction To Molecular Symmetry

Introduction to Molecular Symmetry PDF

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Author: J. S. Ogden
Publisher: Oxford University Press on Demand
ISBN: 9780198559108
Size: 24.94 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 90
View: 5944

Book Description: This Primer presents an introduction to molecular symmetry and point groups with an emphasis on their applications. The author has adopted a non-mathematical approach as far as possible and the text will supplement those that are too advanced or gloss over important information. Chapter topics include symmetry elements, operations and point groups; matrices, multiplications tables and representations; the reduction formula; molecular vibrations; vibrational spectroscopy and degenerate vibrations; symmetry aspects of chemical bonding and matrices in higher order point groups


Molecular Symmetry And Group Theory

Molecular Symmetry and Group Theory PDF

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Author: R. C. Maurya
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110635127
Size: 66.96 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 478
View: 4941

Book Description: 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.


Molek Lsymmetrie Und Spektroskopie

Molek  lsymmetrie und Spektroskopie PDF

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Author: Ingo-Peter Lorenz
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 311036493X
Size: 48.69 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : de
Pages : 260
View: 6991

Book Description: Dieses Buch ist Teil unserer neuen Datenbank Anorganik Online. Basierend auf einem Kompaktkurs, bringt dieses Buch den Studenten der Chemie die grundlegenden Konzepte der Molekülsymmetrie, Symmetrieoperationen und Punktgruppen nahe und behandelt Schwingungs- und Elektronenspektroskopie, sowie Kernmagnetische Resonanz. Im Rahmen der Diskussion werden sowohl spektroskopische Befunde mit Hilfe der Molekülsymmetrie erklärt, als auch aus Messdaten Informationen zur Molekülsymmetrie abgeleitet.


The Irreducible Tensor Method For Molecular Symmetry Groups

The Irreducible Tensor Method for Molecular Symmetry Groups PDF

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Author: J. S. Griffith
Publisher: Courier Dover Publications
ISBN: 0486450473
Size: 25.10 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 134
View: 4143

Book Description: Suitable for advanced undergraduates and graduate students, this text covers V coefficients for the octahedral group and other symmetry groups, W coefficients, irreducible products and their matrix elements, two-electron formulae for the octahedral group, fractional parentage, X coefficients, spin, and matrices of one-electron operators. 1962 edition.


Molecular Symmetry And Group Theory

Molecular Symmetry And Group Theory PDF

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Author: Robert L. Carter
Publisher:
ISBN: 9788126524235
Size: 80.69 MB
Format: PDF, ePub, Mobi
Category :
Languages : en
Pages : 312
View: 1151

Book Description: This comprehensive text provides readers with a thorough introduction to molecular symmetry and group theory as applied to chemical problems. Its friendly writing style invites the reader to discover by example the power of symmetry arguments for understanding otherwise intimidating theoretical problems in chemistry. A unique feature demonstrates the centrality of symmetry and group theory to a complete understanding of the theory of structure and bonding." Fundamental Concepts." Representations of Groups." Techniques and Relationships for Chemical Applications." Symmetry and Chemical Bonding." Equations for Wave Functions." Vibrational Spectroscopy." Transition Metal Complexes.


Molecular Symmetry

Molecular Symmetry PDF

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Author: David S. Schonland
Publisher:
ISBN:
Size: 55.94 MB
Format: PDF, Mobi
Category : Group theory
Languages : en
Pages : 298
View: 6066

Book Description: