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Excited States, Volume 5 consists of three concise and detailed chapters. These chapters cover the topics of excited-state potential surfaces of polyatomic molecules; vibronic spectroscopy of benzene; and quantum statistical mechanical (QSM) theory for molecular relaxation processes. Chapter 1 discusses excited-state potential surfaces with focus on ab initio calculations. Simple methods of computational schemes are also presented in this chapter. Chapter 2 reviews the excited electronic states of benzene. This chapter also includes the basic theory of benzene electronic excitations and the various types of spectroscopy (absorption, vibrational Raman, and electron-impact). Lastly, Chapter 3 presents a unified QSM theory, phenomenological theory of irreversible thermodynamics, and kinetics. The focus of QSM theory is on the nonlinear domain and is used to construct a nonlinear theory for the relaxation of excited molecules that are electric, vibrating, and rotating. This volume is a good reference for students and researchers studying in the field of chemistry and physics.
Higher Excited States of Polyatomic Molecules, Volume III focuses on higher electronic excitations in polyatomic molecules, with emphasis on excitations beyond 50,000 cm-1. This book explores the various transitions on the basis of their orbital characteristics. Organized into 22 chapters, this volume begins with an overview of the relationships between spectra of different molecules and between the results of various types of spectroscopy. This book then discusses the higher excited states involving Rydberg excitation. Other chapters explore the higher excited states in all classes of biological, organic, and inorganic molecules. This text further discusses the progress in the area of higher excitations in polyatomic atoms and the technique of multiphoton ionization (MPI) spectroscopy that yields a remarkable amount of spectroscopic information applicable to the vacuum-ultraviolet region. The final chapter deals with the vacuum-ultraviolet spectroscopy of biological materials. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.
Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.
dissociation, E, of a dimer into two monomers and that, E', of a trimer into a dimer and a monomer. The observed velocity distribution for a beam of sodium iodide is shown in Fig. 23. The monomer and dimer distributions, which are each of the form of Eq. (9. 2), are separately shown. The sum of the two assumed distributions is seen to agree with the experimental data. The data for lithium bromide are shown in Fig. 24. The separate distributions for the monomer, dimer, and trimer required to fit the data are shown as is the sum of these distributions. An attempt to describe the observed distribution in terms of a monomer and a dimer only is shown by the dotted line, where the relative amounts of these species have been adjusted to give a fit on the low velocity side of the spectrum. Table 2. Summary oj data on the degree of association oj diatomic molecules. The data on the fluorides are from unpublished results of M. EISENSTADT, G. ROTHBERG and P. KUSCH. Uncertainties in E and E' are given in parentheses. E E' Temperature OK I ----- ----" Species at which a2 a, kcaljmole p~10-2mmHg RbCl 866 0. 063 48. 0 (0. 5) I KCI 0. 083 897 45·8 (0. 7) I KI 823 0. 046 , 45·3 (0·9) NaC] 920 0. 259 44. 6 (0·9) i NaI 817 0. 235 38. 6 (3-4) LiC] 2.
This book brings together, for the first time, the results of recent research in areas ranging from the chemistry of cold interstellar clouds (10-20 K), through laboratory studies of the spectroscopy and kinetics of ions, radicals and molecules, to studies of molecules in liquid helium droplets, to attempts to create molecular (as distinct from atomic) Bose-Einstein condensates.
The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules. These consequences impact the properties of the materials and the behaviour in interactions with other substances. The book presents modern experimental and computational techniques for the determination of molecular structure. It also highlights applications ranging from the simplest molecules to DNA and industrially significant materials. Readership: Graduate students and researchers in structural chemistry, computational chemistry, molecular spectroscopy, crystallography, supramolecular chemistry, solid state chemistry and physics, and materials science.
Since the first date of publication of this book in 1991, the subject of phosphors and luminescence has assumed even more importance in the overall scheme of technological development. Many new types of displays have appeared which depend upon phosphors in their operation. Some of these were pure conjecture in 1991 but are a reality in 2004. Descriptions have been included of the newer (as well as the older) types of displays in this edition along with an annotated portrait of the phosphors used in each category. Many of these new light sources promise to displace and make obsolete our current light sources, such as incandescent lamps, fluorescent lamps and the ubiquitous colour Cathode Ray Tube now used in TV and computer monitors. The importance of solid state science are summarized in the introductory chapters of this edition, and many of the chapters have been completely rewritten or revised. Each chapter has a special contribution to make in the overall understanding of the solid state science of phosphors and luminescence. Introduces the reader to the science and art of preparing inorganic luminescent materials Describes how and why luminescent materials exhibit such specific intrinsic properties Describes the science of the solid state and presents the exact formulas and conditions required to make all of the phosphors known at that time
Vibrationally Mediated Photodissociation (VMP) deals with the influence of vibrational excitation of the ground electronic state of a molecule on its dissociation following excitation of this state to a higher electronic state. Aimed at students and academics, this is the first book devoted to the effect of vibrational pre-excitation on molecular dynamics in the gas phase. In particular, it deals with the influence of this excitation on the dissociation of molecules (ie: on the branching ratio between the dissociation products and its dependence on the vibrational state being excited). The effect in the gas phase has been extensively studied, both theoretically and experimentally and encompasses diverse areas of chemical physics. This monograph presents the methodology of VMP, using state-of-the-art specific examples. Overviews of earlier works are included as well, to serve as a background for current research. Wherever appropriate, original works are quoted, including the original drawings. The contents include a brief review of theoretical and experimental methods relevant to VMP and specific examples. Also included are a bibliography, author and subject index. From the description of the motivation, the approach, the execution of the experiment and the analysis of the results of the specific examples, the reader will get a comprehensive understanding of the field. The book is aimed at senior undergraduate and graduate students of chemistry and physics. It serves as an introduction to VMP for beginners and as a literature guide to those acquainted with the subject but not necessarily working on VMP.
This book presents numerical methods for solving a wide range of problems associated with the structure of atoms and simplest molecules, and their interaction with electromagnetic radiation, electrons, and other particles. It introduces the ATOM-M software package, presenting a unified software suite, written in Fortran, for carrying out precise atomic and molecular numeric calculations. The book shows how to apply these numerical methods to obtain many different characteristics of atoms, molecules, and the various processes within which they interact. In an entirely self-sufficient approach, it teaches the reader how to use the codes provided to build atomic and molecular systems from the ground up and obtain the resulting one-electron wave functions. The computational programs presented and made available in this book allow calculations in the one-electron Hartree–Fock approximation and take into account many-electron correlations within the framework of the random-phase approximation with exchange or many-body perturbation theory. Ideal for scholars interested in numerical computation of atomic and molecular processes, the material presented in this book is useful to both experts and novices, theorists, and experimentalists.