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Molecular Symmetry and Spectroscopy
Author: Philip Bunker
Publisher: Elsevier
ISBN: 032315025X
Pages: 440
Year: 2012-12-02
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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.
Symmetry and Spectroscopy of Molecules
Author: K. Veera Reddy
Publisher: New Age International
ISBN: 8122424511
Pages: 650
Year: 2007-01-01
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Symmetry and Spectroscopy
Author: Daniel C. Harris, Michael D. Bertolucci
Publisher: Courier Corporation
ISBN: 048666144X
Pages: 550
Year: 1978
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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.
Fundamentals of Molecular Symmetry
Author: P.R. Bunker, P. Jensen
Publisher: CRC Press
ISBN: 0750309415
Pages: 358
Year: 2004-11-01
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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 Group Theory
Author: Robert L. Carter
ISBN: 8126524235
Pages: 312
Year: 2009-11-12
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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
Author: David Willock
Publisher: John Wiley & Sons
ISBN: 0470853476
Pages: 438
Year: 2009-04-06
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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.
Spectra of Atoms and Molecules
Author: Peter F. Bernath
Publisher: Oxford University Press
ISBN: 0199382573
Pages: 488
Year: 2015-12-14
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This third edition of Peter Bernath's successful Spectra of Atoms and Molecules is designed to provide advanced undergraduates and graduate students a working knowledge of the vast field of spectroscopy. Also of interest to chemists, physicists, astronomers, atmospheric scientists, and engineers, this volume emphasizes the fundamental principles of spectroscopy with the primary goal of teaching the interpretation of spectra. Features include a presentation of group theory needed to understand spectroscopy, detailed worked examples and a large number of excellent problems at the end of each chapter. Prof. Bernath provides a large number of diagrams and spectra which have been specifically recorded for this book. Molecular symmetry, matrix representation of groups, quantum mechanics, and group theory are among the topics covered; atomic, rotational, vibrational, electronic and Raman spectra are analyzed. Bernath's clear treatment of the confusing topic of line strengths as needed for quantitative applications is featured. This much-needed new edition has been updated to include the 2010 CODATA revision of physical constants, and a large number of corrections and clarifications. Responding to student requests, the main new feature is the addition of detailed worked examples in each chapter. Spectra of Atoms and Molecules, 3e will help demystify spectroscopy by showing readers the necessary steps in a derivation, as well as the final result.
Frontiers of Molecular Spectroscopy
Author: Jaan Laane
Publisher: Elsevier
ISBN: 0080932371
Pages: 740
Year: 2011-08-11
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Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. * provides comprehensive coverage of present spectroscopic investigations * features 20 chapters written by leading researchers in the field * covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology
Symmetry, Spectroscopy, and Crystallography
Author: Robert Glaser
Publisher: John Wiley & Sons
ISBN: 3527337490
Pages: 311
Year: 2015-10-05
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Written in a clear and understandable manner, this book provides a comprehensive, yet non-mathematical, treatment of the topic, covering the basic principles of symmetry and the important spectroscopic techniques used to probe molecular structure. The chapters are extensively illustrated and deal with such topics as symmetry elements, operations and descriptors, symmetry guidelines, high-fidelity pseudosymmetry, crystallographic symmetry, molecular gears, and experimental techniques, including X-ray crystallography and NMR spectroscopy. As an additional feature, 3D animations of most of the structures and molecules covered are available online at As a result, chemists learn how to understand and predict molecular structures and reactivity. Authored by a renowned expert with numerous publications and an excellent track record in research and teaching, this is a useful source for graduate students and researchers working in the field of organic synthesis, physical chemistry, biochemistry, and crystallography, while equally serving as supplementary reading for courses on stereochemistry, organic synthesis, or crystallography.
Molecular Symmetry and Group Theory
Author: Alan Vincent
Publisher: John Wiley & Sons
ISBN: 1118723384
Pages: 224
Year: 2013-06-05
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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.
Modern Spectroscopy
Author: J. Michael Hollas
Publisher: John Wiley & Sons
ISBN: 0470094710
Pages: 480
Year: 2004-04-21
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The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. A revised and updated edition of a successful, clearly written book Includes the latest developments in modern laser techniques, such as cavity ring-down spectroscopy and femtosecond lasers Provides numerous worked examples, calculations and questions at the end of chapters
Rotational Structure in Molecular Infrared Spectra
Author: Carlo di Lauro
Publisher: Newnes
ISBN: 0124078931
Pages: 344
Year: 2013-04-27
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Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effects on the values of matrix elements. Designed for researchers and PhD students involved in the interpretation of vibration-rotation spectra, the book intentionally separates basic theoretical arguments (in the appendices), allowing readers who are mainly concerned with applications to skip the principles while at the same time providing a sound theoretical basis for readers who are looking for more foundational information. Reviews basic theory and contemporary methods of vibration rotation absorption spectroscopy, including operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry Covers sophisticated mathematical topics in simple, easy-to-read language Discusses methods and applications separately from basic theoretical arguments for quick reference
Molecular Vibrations
Author: E. Bright Wilson, J. C. Decius, Paul C. Cross
Publisher: Courier Corporation
ISBN: 0486137155
Pages: 416
Year: 2012-05-11
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Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.
Rotational Spectroscopy of Diatomic Molecules
Author: John M. Brown, Alan Carrington
Publisher: Cambridge University Press
ISBN: 0521530784
Pages: 1013
Year: 2003-04-10
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Diatomic molecules are important across the whole of the physical sciences. They are the basic building blocks of large molecules and many of the principles which underlie our understanding of chemical bonds in molecules were first developed by studying diatomic systems. Starting from fundamental principles, this book develops the theory behind the energy levels of diatomic molecules and then summarises the many experimental methods used to study the spectra of these molecules in the gaseous state. This book will be the definitive text in the field.
Group Theory and Chemistry
Author: David M. Bishop
Publisher: Courier Corporation
ISBN: 0486132323
Pages: 336
Year: 2012-07-12
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Concise, self-contained introduction to group theory and its applications to chemical problems. Symmetry, matrices, molecular vibrations, transition metal chemistry, more. Relevant math included. Advanced-undergraduate/graduate-level. 1973 edition.

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