Experimental And Theoretical Approaches To Actinide Chemistry

A review of contemporary actinide research that focuses on new advances in experiment and theory, and the interplay between these two realms Experimental and Theoretical Approaches to Actinide Chemistry offers a comprehensive review of the key aspects of actinide research. Written by noted experts in the field, the text includes information on new advances in experiment and theory and reveals the interplay between these two realms. The authors offer a multidisciplinary and multimodal approach to the nature of actinide chemistry, and explore the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry. The text covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques. The authors provide contemporary overviews of each topic area presented and describe the current and anticipated experimental approaches for the field, as well as the current and future computational chemistry and materials techniques. In addition, the authors explore the combination of experiment and theory. This important resource: Provides an essential resource the reviews the key aspects of contemporary actinide research Includes information on new advances in experiment and theory, and the interplay between the two Covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques Focuses on the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry Written for academics, students, professionals and researchers, this vital text contains a thorough review of the key aspects of actinide research and explores the most recent advances in experiment and theory.

The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.

This volume of the Handbook illustrates the rich variety of topics covered by rare earth science. Three chapters are devoted to the description of solid state compounds: skutterudites (Chapter 211), rare earth -antimony systems (Chapter 212), and rare earth-manganese perovskites (Chapter 214). Two other reviews deal with solid state properties: one contribution includes information on existing thermodynamic data of lanthanide trihalides (Chapter 213) while the other one describes optical properties of rare earth compounds under pressure (Chapter 217). Finally, two chapters focus on solution chemistry. The state of the art in unraveling solution structure of lanthanide-containing coordination compounds by paramagnetic nuclear magnetic resonance is outlined in Chapter 215. The potential of time-resolved, laser-induced emission spectroscopy for the analysis of lanthanide and actinide solutions is presented and critically discussed in Chapter 216.

Actinides are an important, if sometimes unwanted, part of highly technological societies. Actinides pose an extreme scientific challenge to the materials research community. Their complex electronic structure results in many abnormal properties that even today are not well understood. The focus of this book is fundamental actinide science and its role in resolving technical challenges posed by actinide materials. Both basic and applied experimental approaches, as well as theoretical modeling and computational simulations, are featured. Topics for the inaugural actinides symposium include: actinide phase stability, transformations and aging; phononic and electronic structure; actinides and the environment; actinide solution and interfacial chemistry; actinide science and technology; theory of actinides - elemental phases, alloys and compounds; and superconductivity, correlated behavior and quantum criticality.

The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.

The Chemistry of the Actinides contains selected chapters from the Comprehensive Inorganic Chemistry to meet the needs of certain specialists in this field. The book describes the 14 elements after actinium in the Periodic Table, known as the actinide elements or the 5f transition series. The book notes the occurrence, separation, chemical properties, chemical structures, and preparation of the metals. In a discussion of analytical chemistry, the radioactive properties of the actinides and the lanthanides are compared. The text then describes the nuclear or radiochemical records and chemical properties of the different members of the actinide series such as thorium, uranium, plutonium, and einsteinium. The book also explains the differences between the 5f shell and the 4f shell. One paper then discusses the groups of alloy compounds, including rare earths and intra-actinides. Another paper examines the general properties of actinide ions as to their electronic structure and oxidation states; the stability and preparation of the different oxidation states; and the applicability of solvent extraction in separating and purifying various substances. The text is suitable for researchers in organic chemistry, nuclear and atomic physicists, scientists, and academicians whose work involves radioactive materials.

The authors' aim is to present a review of experimental and theoretical research that has been done to establish and to explain the physical properties of actinide compounds. The book is aimed at physicists and chemists. It was thought useful to collect a large selection of diagrams of experimental data scattered in the literature. Experiment and theory are presented separately, with cross references. Not all work has been included: rather, typical examples are discussed. We apologize to all researchers whose work has not been quoted. Since we report on an active field of research, clearly the data and their interpretation are subject to change. We benefitted greatly from discussions with many of our colleagues, particularly with Drs. G. H. Lander and W. Suski. The help of Mrs. C. Bovey and Ch. Lewis in the preparation of the manuscript, and the artwork and photo graphic work of Ms. Y. Magnenat and E. Spielmann of the Institute of Experi mental Physics of the University of Lausanne, are gratefully acknowledged. Our particular thanks are due to Ms. J. Ubby for her skillful and patient editorial work.