Fundamentals of Molecular Symmetry

Fundamentals of Molecular Symmetry

Author: P.R. Bunker

Publisher: CRC Press

Published: 2018-10-03

Total Pages: 384

ISBN-13: 1351989855

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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

Author: Philip Bunker

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 441

ISBN-13: 032315025X

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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

Author: R. C. Maurya

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2019-09-02

Total Pages: 577

ISBN-13: 3110635127

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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.


Symmetry and Spectroscopy

Symmetry and Spectroscopy

Author: Daniel C. Harris

Publisher: Courier Corporation

Published: 1989-01-01

Total Pages: 588

ISBN-13: 9780486661445

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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 Principles in Solid State and Molecular Physics

Symmetry Principles in Solid State and Molecular Physics

Author: Melvin Lax

Publisher: Courier Corporation

Published: 2001-01-01

Total Pages: 514

ISBN-13: 0486420019

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High-level text applies group theory to physics problems, develops methods for solving molecular vibration problems and for determining the form of crystal tensors, develops translational properties of crystals, more. 1974 edition.


Group Theory for Chemists

Group Theory for Chemists

Author: Kieran C Molloy

Publisher: Elsevier

Published: 2010-12-21

Total Pages: 237

ISBN-13: 0857092413

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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


Molecular Symmetry and Group Theory

Molecular Symmetry and Group Theory

Author: Robert L. Carter

Publisher: John Wiley & Sons

Published: 1997-12-16

Total Pages: 326

ISBN-13: 0471149551

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A Thorough But Understandable Introduction To Molecular Symmetry And Group Theory As Applied To Chemical Problems! In a friendly, easy-to-understand style, this new book invites the reader to discover by example the power of symmetry arguments for understanding theoretical problems in chemistry. The author shows the evolution of ideas and demonstrates the centrality of symmetry and group theory to a complete understanding of the theory of structure and bonding. Plus, the book offers explicit demonstrations of the most effective techniques for applying group theory to chemical problems, including the tabular method of reducing representations and the use of group-subgroup relationships for dealing with infinite-order groups. Also Available From Wiley: * Concepts and Models of Inorganic Chemistry, 3/E, by Bodie E. Douglas, Darl H. McDaniel, and John J. Alexander 0-471-62978-2 * Basic Inorganic Chemistry, 3/E, by F. Albert Cotton, Paul Gaus, and Geoffrey Wilkinson 0-471-50532-3


Quantum Mechanical Foundations of Molecular Spectroscopy

Quantum Mechanical Foundations of Molecular Spectroscopy

Author: Max Diem

Publisher: John Wiley & Sons

Published: 2021-07-19

Total Pages: 290

ISBN-13: 3527347925

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A concise textbook bridging quantum theory and spectroscopy! Designed as a practical text, Quantum Mechanical Foundations of Molecular Spectroscopy covers the quantum mechanical fundamentals of molecular spectroscopy from the view of a professional spectroscopist, rather than a theoretician. Written by a noted expert on the topic, the book puts the emphasis on the relationship between spectroscopy and quantum mechanics, and provides the background information and derivations of the subjects needed to understand spectroscopy including: stationary energy states, transitions between these states, selection rules, and symmetry. The phenomenal growth of all forms of spectroscopy over the past eight decades has contributed enormously to our understanding of molecular structure and properties. Today spectroscopy covers a broad field including the modern magnetic resonance techniques, non-linear, laser and fiber-based spectroscopy, surface and surface-enhanced spectroscopy, pico- and femtosecond time resolved spectroscopy, and many more. This up-to-date resource discusses several forms of spectroscopy that are used in many fields of science, such as fluorescence, surface spectroscopies, linear and non-linear Raman spectroscopy and spin spectroscopy. This important text: Contains the physics and mathematics needed to understand spectroscopy Explores spectroscopic methods the are widely used in chemistry, biophysics, biology, and materials science Offers a text written by an experienced lecturer and practitioner of spectroscopic methods Includes detailed explanations and worked examples Written for chemistry, biochemistry, material sciences, and physics students, Quantum Mechanical Foundations of Molecular Spectroscopy provides an accessible text for understanding molecular spectroscopy.


Symmetry, Group Theory, and the Physical Properties of Crystals

Symmetry, Group Theory, and the Physical Properties of Crystals

Author: Richard C Powell

Publisher: Springer

Published: 2010-12-01

Total Pages: 238

ISBN-13: 1441975985

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Complete with reference tables and sample problems, this volume serves as a textbook or reference for solid-state physics and chemistry, materials science, and engineering. Chapters illustrate symmetry, and its role in determining solid properties, as well as a demonstration of group theory.