Robert A. Scott

R. Bruce King

Edward I. Solomon

Over the past several decades there have been major advances in ourability to computationally evaluate the electronic structure ofinorganic molecules, particularly transition metal systems. Thisadvancement is due to the Moore’s Law increase in computingpower as well as the impact of density functional theory (DFT) andits implementation in commercial and freeware programs for quantumchemical calculations. Improved pure and hybrid density functionalsare allowing DFT calculations with accuracy comparable tohigh-level Hartree-Fock treatments, and the results of thesecalculations can now be evaluated by experiment. When calculations are correlated to, and supported by,experimental data they can provide fundamental insight intoelectronic structure and its contributions to physical propertiesand chemical reactivity. This interplay continues to expand andcontributes to both improved value of experimental results andimproved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-artpresentations of quantum mechanical and related methods and theirapplications, written by many of the leaders in the field. Part 1of this volume focuses on methods, their background andimplementation, and their use in describing bonding properties,energies, transition states and spectroscopic features. Part 2focuses on applications in bioinorganic chemistry and Part 3discusses inorganic chemistry, where electronic structurecalculations have already had a major impact. This addition to theEIC Book series is of significant value to both experimentalistsand theoreticians, and we anticipate that it will stimulate bothfurther development of the methodology and its applications in themany interdisciplinary fields that comprise modern inorganic andbioinorganic chemistry. This volume is also available as part of Encyclopedia ofInorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007to 2010, representing areas of key developments in the field ofinorganic chemistry published in the Encyclopedia of InorganicChemistry. ahref="http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1119994284.html"Findout more/a.

Computational Inorganic and Bioinorganic Chemistry

John J. Eisch

Organometallic Syntheses: Nontransition-metal compounds

Richard R. Hautala

Charles Kutal

The intense current interest in the development of solar energy as a viable energy alternative comes as no surprise in view of the widespread awareness of impending world-wide energy shortages. After all, the magnitude of energy available from the sun is impressive, its diffuseness and intermittent nature notwithstanding. The fact that, as a source, it represents a constant and inex haustible supply of energy is alluring. The fact that most solar application schemes are nonpolluting in nature is an attractive bonus. In spite of these impressive attributes, research and development in the area of solar energy is in its infancy, owing largely to the prior lack of any need to exploit such diffuse sources. Indeed efforts in this area have traditionally been within the province of solid-state physics and engineering. The problems associated with efficient light harvesting and storage, however, are not simply technological ones. Effec tive solutions to these problems appear to lie beyond the current forefront of the chemical sciences. Consequently input fr9m scientists previously engaged in fundamental chemistry has begun to emerge. Thus many of the contributions in this volume represent input from research groups with a relatively short history of involvement in solar energy. On the other hand, the long-standing and perceptive commitment of Professor Melvin Calvin to research involving solar energy represents the other extreme. This volume covers a variety of approaches to the problem of efficiently converting and storing solar energy.

Chemical Conversion and Storage

Solar Energy

The objective of this book is to present for the first time the complete algorithm for roots of the general quintic equation with enough background information to make the key ideas accessible to non-specialists and even to mathematically oriented readers who are not professional mathematicians. The book includes an initial introductory chapter on group theory and symmetry, Galois theory and Tschirnhausen transformations, and some elementary properties of elliptic function in order to make some of the key ideas more accessible to less sophisticated readers. The book also includes a discussion of the much simpler algorithms for roots of the general quadratic, cubic, and quartic equations before discussing the algorithm for the roots of the general quintic equation. A brief discussion of algorithms for roots of general equations of degrees higher than five is also included. "If you want something truly unusual, try [this book] by R. Bruce King, which revives some fascinating, long-lost ideas relating elliptic functions to polynomial equations." --New Scientist

Beyond the Quartic Equation

Encyclopedia of Inorganic Chemistry

Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry is a text-reference that provides inorganic chemists with a rudimentary knowledge of topology, graph theory, and related mathematical disciplines. The book emphasizes the application of these topics to metal clusters and coordination compounds. The book's initial chapters present background information in topology, graph theory, and group theory, explaining how these topics relate to the properties of atomic orbitals and are applied to coordination polyhedra. Subsequent chapters apply these ideas to the structure and chemical bonding in diverse types of inorganic compounds, including boron cages, metal clusters, solid state materials, metal oxide derivatives, superconductors, icosahedral phases, and carbon cages (fullerenes). The book's final chapter introduces the application of topology and graph theory for studying the dynamics of rearrangements in coordination and cluster polyhedra.

Applications of Graph Theory and Topology in Inorganic Cluster and Coordination Chemistry

Hardbound. The chemistry of boron exhibits many unique features, demonstrating exceptional ability in molecular, ionic, and solid state environments to form very stable compounds exhibiting structures based on icosahedral and other deltahedral units. In addition, boron forms a variety of very stable mononuclear tetrahedral as well as polynuclear cage anions including some of the most weakly coordinating anions currently known. The hydride chemistry of boron is also unusually rich providing diverse examples of multicenter bonding, which have stimulated numerous theoretical and computational studies.These features of boron chemistry can be considered to be as distinctive as the unique features of the much better known chemistry of carbon in organic compounds including the exceptional catenation ability of carbon as well as the wide range of compounds containing stable benzenoid and related structural units. These and other special features of boron c

BORON CHEMISTRY AT THE MILLENNIUM

Organometallic Syntheses, Volume 3 focuses on the synthesis of compounds containing carbon-metal bonds, including ligands, compounds, chlorides, and derivatives. The selection first elaborates on bis(cyclopentadienyl) organolanthanide and organoyttrium chloride, methyl, and hydride complexes and base stabilized alkali metal halide adducts of bis (pentamethylcyclopentadienyl) lanthanide chlorides. The text then examines cyclopentadienyl metal carbonyl and nitrosyl derivatives, ferrocenylamine, cobalticinium and rhodicinium salts, and alkyl transition metal derivatives. The publication takes a look at transition metal complexes containing organophosphorus ligands, transition metal derivatives containing chalcogen ligands, and coinage metal derivatives. The text also reviews transition metal organometallic compounds, including compounds of group IA, IIA, IIB, and IVA. The selection is a vital reference for researchers interested in the synthesis of compounds containing carbon-metal bonds.

R. Bruce King

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