Download or read book Symmetry Analysis and Calculation of Rotational Energies for Molecules with a Symmetric Internal Top written by Edward Arnold Cohen and published by . This book was released on 1966 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Handbook of High resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications

Download or read book Fundamentals of Molecular Symmetry written by P.R. Bunker and published by CRC Press. This book was released on 2018-10-03 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Comprehensive Dissertation Index 1861 1972 Chemistry written by Xerox University Microfilms and published by . This book was released on 1973 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Comprehensive Dissertation Index written by and published by . This book was released on 1973 with total page 966 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Symmetry and Spectroscopy written by Philip Bunker and published by Elsevier. This book was released on 2012-12-02 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Encyclopedia of Spectroscopy and Spectrometry written by and published by Academic Press. This book was released on 2016-09-22 with total page 3716 pages. Available in PDF, EPUB and Kindle. Book excerpt: This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas

Download or read book Structure of Free Polyatomic Molecules written by Kozo Kuchitsu and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume Structure of Free Polyatomic Molecules Basic Data contains frequently used data from the corresponding larger Landolt-Börnstein handbooks in a low price book for the individual scientists working in the laboratory. Directories link to the more complete volumes in the library. The book contains important information about a large number of semiconductors.

Download or read book Calculation of the Centrifugal Distortion Constants GV and LV Associated with Internal Rotation in Symmetric Top Molecules written by Philip Jacoby and published by . This book was released on 1975 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Symmetry Super Rotation and Semiclassical Motion written by Hanno Schmiedt and published by Springer. This book was released on 2017-08-31 with total page 171 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Theoretical Chemistry written by R. N. Dixon and published by Royal Society of Chemistry. This book was released on 1974 with total page 171 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

Download or read book Structures and Conformations of Non Rigid Molecules written by J. Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Download or read book The Calculation of Rotational Energy Levels and Rotational Line Intensities in Diatomic Molecules written by Jon T. Hougen and published by . This book was released on 1970 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt: Procedures are described, in this pedagogical monograph, for making quantum mechanical calculations of rotational energy levels and rotational line intensities in diatomic molecules. The procedures are illustrated by sample calculations.A familiarity with the material of this report should enable a practicing electronic spectroscropist to carry out, though in a rather mechanical way, his own theoretical calculations for molecules under experimental investigation.The material of this report is aimed at electronic spectroscopists who have had the equivalent of one semester of graduate-level quantum mechanics.(Author).

Download or read book Vibrational Rotational Excitations in Nonlinear Molecular Systems written by Alexander A. Ovchinnikov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: "If there would be no God ~ then what a staff-captain am I?" ~ said one of the characters in a novel by Dostoevskii. In a similar way we can exclaim: "If there would be no nonlinearity ~ than what physics would that be'?". Really, the most interesting and exciting effects are described by non linear equations, and vanish in the linear approximation. For example, the general theory of relativity by A.Einstein comes to mind first - one of the most beautiful physical theories, which is in fact essentially nonlinear. Next, the phase transitions crystal ~ liquid and liquid ~ gas are due to the anhar monicity of inter-particle interactions, to dissociation and infinite motion. Similarly, transitions into the superconducting state or the superftuid would be impossible with purely harmonic interaction potentials. Another bril liant achievement in nonlinear physics was the construction of a laser and the subsequent development of nonlinear optics. The latter describes the in teraction of the matter with light of super-high intensity, when multi-quanta intra-molecular transitions become essential. Last, we should note here the very beautiful mathematical theory ~ the theory of catastrophes. Its subject is the study of invariant general properties of multi-dimensional surfaces in the vicinity of bifurcation points with respect to continuous transformations.

Download or read book Structure and Dynamics of Weakly Bound Molecular Complexes written by Alfons Weber and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 623 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of weakly bound molecular complexes has in recent years brought this field of investigation to the forefront of physical and chemical research. The scope of the subject is wide and different terminology and nomenclature is current among the various subspecialties. Thus, the term "metal cluster" often connotes to the organic chemist a metal-organic compound, while the physicist will more likely think of groups of metal atoms held together by weak interatomic forces. Aggregates, clusters, complexes, van der Waals molecules, hydrogen-bonded molecules, etc. are terms currently in use, sometimes interchangeably while other times with well defined and mutually exclusive meanings. The subjects of this volume are the free, isolated vim der Waals and hydrogen-bonded molecules. Owing to the present state of experimental knowledge these are mostly dimers, i. e. , entities formed by two strongly bound molecules, an atom and a molecule, or two atoms held together by the weak hydrogen-bonding, or the still weaker van der Waals forces. Weakly bound complexes formed of more than two strongly bound sub-units, i. e. , trimers, tetramers, etc. , are now coming within reachof experimental observation and several papers in this book deal with them. The study of van der Waals and hydrogen-bonded interactions has been pursued for several decades. Most of these ,investigations have, however, dealt with systems in the condensed phase in which bulk effects are commingled with and therefore mask the weak binary interactions.

Download or read book Vibrational Spectroscopy written by D. N. Sathyanarayana and published by New Age International. This book was released on 2015-07 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Spectroscopy Provides In A Very Readable Fashion A Comprehensive Account Of The Fundamental Principles Of Infrared And Raman Spectroscopy For Structural Applications To Inorganic, Organic And Coordination Compounds. Theoretical Analyses Of The Spectra By Normal Coordinate Treatment, Factor Group Analysis And Molecular Mechanics Are Delineated.The Book Features: * Coverage From First Principles To Recent Advances * Relatively Self-Contained Chapters * Experimental Aspects * Step By Step Treatment Of Molecular Symmetry And Group Theory * Recent Developments Such As Non-Linear Raman Effects * Comprehensive Treatment Of Rotation Spectroscopy * Band Intensities * Spectra Of Crystals * End-Of-Chapter Exercises.Suitable For Students And Researchers Interested In The Field Of Vibrational Spectroscopy. No Prior Knowledge Of Concepts Specific To Vibrational Spectroscopy Is Necessary. Mathematical Background Such As Matrices And Vectors Are Provided.

Download or read book Symmetry Properties of Molecules written by G. S. Ezra and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aIm of the present article is to give a critical exposition of the theory of the symmetry properties of rigid and nonrigid molecules. Despite the fact that several accounts of the subject, both technical and didactic, are now available, and despite the extensive discussion of nonrigid molecule symmetry that has been going on since the classic papers of Hougen and Longuet-Higgins, there remains a need for a unifying survey of the problem. Previous treatments have tended to emphasize one or the other particular viewpoint at the expense of a broader view. Renewed interest in the details of the symmetry classification of rotation vibration states of highly symmetric (octahedral) molecules has led to a reexam ination of the relation between conventional point group operations and permutations of identical nuclei in rigid molecules, together with a clarification of the fundamental role of the Eckart constraints and associated Eckart frame. As is shown below, analogous insights can also be obtained in the case of nonrigid molecule symmetry, where the Eckart-Sayvetz conditions provide a natural generalization of the Eckart constraints. The importance of particular definitions of the 'molecule-fixed' frame in the theory of molecular symmetry can be better appreciated by examining their dynamical origin. Chapter 1 is therefore devoted to a description of the derivation of the usual Wilson-Howard-Watson form of the molecular Hamiltonian, together with its generalization to nonrigid molecules. Particular attention is given to the intro duction of molecular models and use of the Eckart and Eckart-Sayvetz constraints.