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Rotational Spectra And Molecular Structure

Author: James E. Wollrab
Publisher: Academic Press
ISBN: 148319485X
Size: 28.25 MB
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Physical Chemistry, A Series of Monographs: Rotational Spectra and Molecular Structure covers the energy levels and rotational transitions. This book is divided into nine chapters that evaluate the rigid asymmetric top molecules and the nuclear spin statistics for asymmetric tops. Some of the topics covered in the book are the asymmetric rotor functions; rotational transition intensities; classes of molecules; nuclear spin statistics for linear molecules and symmetric tops; and classical appearance of centrifugal and coriolis forces. Other chapters deal with the energy levels and effects of centrifugal distortion, as well as the internuclear distance and moments of inertia. The discussion then shifts to the coriolis coupling effects on rotational constants and the perturbation treatment of vibration-rotational Hamiltonian. The last chapter is devoted to the examination of origin of the quadrupole interaction. The book can provide useful information to chemists, physicists, electrical engineers, students, and researchers.

Structure Of Molecules And Internal Rotation

Author: San-Ichiro Mizushima
Publisher: Academic Press
ISBN: 1483194833
Size: 49.76 MB
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Structure of Molecules and Internal Rotation reviews early studies on dihalogenoethanes. This book is organized into two parts encompassing 8 chapters that evaluate the Raman effect in ethane derivatives, the energy difference between rotational isomers, and the infrared absorption of ethane derivatives. Some of the topics covered in the book are the potential barrier to internal rotation; nature of the hindering potential; entropy difference between the rotational isomers; internal rotation in butane, pentane, and hexane; and internal rotation in long chain n-paraffins. Other chapters deal with the configuration of a polypeptide chain, as well as the sum rule and the product rule for rotational isomers. The normal vibrations of the 1,2-dihalogenoethanes are presented. The last chapters are devoted to the examination of the Raman effect, dielectric constant, and electron diffraction. The book can provide useful information to chemists, physicists, students, and researchers.

Vibration Rotational Spectroscopy And Molecular Dynamics

Author: Du?an Papou?ek
Publisher: World Scientific
ISBN: 9789810216351
Size: 73.45 MB
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The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.

The Vibrational And Rotational Spectrometry Of Diatomic Molecules

Author: John F. Ogilvie
Publisher:
ISBN:
Size: 78.10 MB
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This work is a systematic description of the analysis of molecular spectra of diatomic molecules, particularly infrared and Raman spectra, to extract precise information about molecular structure and electric and magnetic properties. A number of subjects are covered in depth, with reviews of miscellaneous topics important in the future progress of experiment and theory in this field. Because of its coverage and scope in relation to physical chemistry and molecular physics, this work serves as a useful reference for all researchers in chemistry, physics, spectroscopy, and related fields. Key Features * Explains the empirical basis of spectra, providing many equations useful to generate spectral parameters * Provides a concise review of general principles and detailed explanation of particular theoretical techniques * Analyzes wavenumber data * Contains methods to evaluate parameters in various radial functions * Presents an analysis of intensity of spectra * Covers the effects of nuclear spin, electronic spin, and orbital angular momentum of diatomic free radicals and molecular ions * Illustrates the operation of diatomic lasers on vibrational-rotational transitions

Physical Surfaces

Author: J.J. Bikerman
Publisher: Elsevier
ISBN: 0323163041
Size: 63.53 MB
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Physical Surfaces deals with the basic concepts of the physics of surfaces, including the nature of the surface pressure of unimolecular films and the equilibrium pressure of these films. The effect of particle size on capillary pressure, the surface energy and the cuticular energy of solids, and the fundamentals of wetting are also examined. This book is comprised of nine chapters and begins with a discussion on the mechanics and physical chemistry of liquid surfaces, with emphasis on capillarity and surface tension. The following chapters focus on liquid-liquid interfaces, foams and emulsions, and solid surfaces. Interfacial tension is analyzed in relation to miscibility and surface tension, along with contact angles in gas-liquid-liquid systems. The chapter on wetting looks at theories of contact angle, its measurement, and hysteresis. Adsorption and electric surface phenomena are also explored, together with adhesion and friction. This monograph will be a valuable resource for physical chemists and physicists.

Theoretical Foundations Of Electron Spin Resonance

Author: John E. Harriman
Publisher: Academic Press
ISBN: 1483191664
Size: 28.70 MB
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Theoretical Foundations of Electron Spin Resonance deals with the theoretical approach to electron paramagnetic resonance. The book discusses electron spin resonance in applications related to polyatomic, probably organic, free radicals in condensed phases. The book also focuses on essentially static phenomena, that is, the description and determination of stationary-state energy levels. The author reviews the Dirac theory of the electron in which a four-component wave function is responsible for the behavior of the electron. The author then connects this theory with the nonrelativistic wave function theory. The book also addresses the relationship between spin Hamiltonian parameters and observable energy levels, as well as the expressions for specific spin Hamiltonian parameters concerning operators and wave functions. The book discusses wave- functions for open-shell systems; as well as how to extract values of spin Hamiltonian from information related to wave functions. The author then examines empirically adjusted parameters that can determine the wave function itself. This book can prove valuable for scientists involved with nuclear physics, molecular physics, and researchers in chemical physics.

Photodissociation Dynamics

Author: Reinhard Schinke
Publisher: Cambridge University Press
ISBN: 9780521484145
Size: 50.95 MB
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Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.

Optical Polarization Of Molecules

Author: Marcis Auzinsh
Publisher: Cambridge University Press
ISBN: 9780521673440
Size: 38.81 MB
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This book explains the theory and methods by which gas molecules can be polarized by light, a subject of considerable importance for what it tells us about the electronic structure of molecules and properties of chemical reactions. Starting with a brief review of molecular angular momentum, the text goes on to consider resonant absorption, fluorescence, photodissociation and photoionization, as well as collisions and static fields. A variety of macroscopic effects are considered, among them angular distribution and the polarization of emitted light, ground state depopulation, laser-induced dichroism, the effect of collisions and external magnetic and electric field effects. Most examples in the book are for diatomic molecules, but symmetric-top polyatomic molecules are also included. The book concludes with a short appendix of essential formulae, tables for vector calculus, spherical functions, Wigner rotation matrices, Clebsch-Gordan coefficients, and methods for expansion over irreducible tensors.