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Atomic Clusters With Unusual Structure Bonding And Reactivity

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Atomic Clusters with Unusual Structure Bonding and Reactivity

Atomic Clusters with Unusual Structure  Bonding and Reactivity Book
Author : Pratim Kumar Chattaraj,Sudip Pan,Gabriel Merino
Publisher : Elsevier
Release : 2021-12-15
ISBN : 9780128229439
Language : En, Es, Fr & De

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Book Description :

Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields. Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity

Physics and Chemistry of Small Clusters

Physics and Chemistry of Small Clusters Book
Author : P. Jena
Publisher : Springer Science & Business Media
Release : 2013-06-29
ISBN : 1475703570
Language : En, Es, Fr & De

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Book Description :

Recent advances in experimental techniques now enable researchers to produce in a laboratory clusters of atoms of desired composition from any of the elements of the periodic table. This has created a new area of research into novel materials since clusters cannot be regarded either as a "large" molecule or as a fragment of the bulk. Both experimental and theoretical studies are revealing unusual properties that are not ob served in solid state environments. The structures of micro-clusters are found to be significantly distorted from the most symmetric arrangement, some even exhibiting pentagonal symmetry commonly found in icosahedric structures. The unusual stability of certain clusters, now described as "magic number species", shows striking similarities with the nuclear shell structure. The relative stabilities of clusters depend not only on the composition of the clusters but also on their charged states. The studies on spontaneous fragmentation of mUltiply charged clusters, commonly referred to as Coulomb explosion, illustrate the role of electronic bonding mechanisms on stability of clusters. The effect of foreign atoms on geometry and stability of clusters and the interaction of gas atoms with clusters are showing promise for an indepth understanding of chemisorption and catalysis. The magnetic and optical properties are dependent not only on cluster size but also on its geometry. These findings have the potential for aiding industry in the area of micro-electronics and catalysis.

Aromaticity and Metal Clusters

Aromaticity and Metal Clusters Book
Author : Pratim Kumar Chattaraj
Publisher : CRC Press
Release : 2010-10-15
ISBN : 9781439813348
Language : En, Es, Fr & De

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Book Description :

Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters. Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations. The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include: Computational studies on molecules with unusual aromaticity Electronic shells and magnetism in small metal clusters A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring The correlation between electron delocalization and ring currents in all metallic aromatic compounds Phenomenological shell model and aromaticity in metal clusters Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.

Structure and Properties of Clusters from a few Atoms to Nanoparticles

Structure and Properties of Clusters  from a few Atoms to Nanoparticles Book
Author : George Maroulis
Publisher : CRC Press
Release : 2006-10-27
ISBN : 9047418603
Language : En, Es, Fr & De

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Book Description :

This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles. Special emphasis is given to bringing forth new insights on the structure and properties of these systems with an eye towards potential applications in Materials Science. Overal, the volume presents to the readers an amazing wealth of new results. Particular subjects include water clusters, Silicon, Iron, Nickel and Gold clusters, carbon-titanium microclusters and nanoparticles, fullerenes, carbon nanotubes, chiral carbon nanotubes, boron nanoclusters and more.

Compounds with Polar Metallic Bonding

Compounds with Polar Metallic Bonding Book
Author : Constantin Hoch
Publisher : MDPI
Release : 2019-07-01
ISBN : 303921070X
Language : En, Es, Fr & De

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Book Description :

The Special Edition 'Compounds with Polar Metallic Bonding' is a collection of eight original research reports presenting a broad variety of chemical systems, analytical methods, preparative pathways and theoretical descriptions of bonding situations, with the common aim of understanding the complex interplay of conduction electrons in intermetallic compounds that possess different types of dipoles. Coulombic dipoles introduced by electronegativity differences, electric or magnetic dipoles, polarity induced by symmetry reduction—all the possible facets of the term 'polarity'—can be observed in polar intermetallic phases and have their own and, in most cases, unique consequences on the physical and chemical behaviour. Elucidation of the structure–property relationships in compounds with polar metallic bonding is a modern and growing scientific field which combines solid state physics, preparative chemistry, metallurgy, modern analytic methods, crystallography, theoretical calculations of the electronic state and many more disciplines.

Cluster Assembled Materials

Cluster Assembled Materials Book
Author : Klaus Sattler
Publisher : CRC Press
Release : 1996
ISBN : 9780878497478
Language : En, Es, Fr & De

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Book Description :

It is now some 15 years since atomic clusters were first produced and investigated in laboratories. Since then, knowledge concerning clusters has enjoyed rapid and sustained growth, and cluster research has become a new branch of science.

Aromaticity and Metal Clusters

Aromaticity and Metal Clusters Book
Author : Pratim Kumar Chattaraj
Publisher : CRC Press
Release : 2010-10-15
ISBN : 9781439813355
Language : En, Es, Fr & De

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Book Description :

Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters. Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations. The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include: Computational studies on molecules with unusual aromaticity Electronic shells and magnetism in small metal clusters A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring The correlation between electron delocalization and ring currents in all metallic aromatic compounds Phenomenological shell model and aromaticity in metal clusters Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.

Atomic and Nuclear Clusters

Atomic and Nuclear Clusters Book
Author : G.S. Anagostatos,W.v. Oertzen
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 3642796966
Language : En, Es, Fr & De

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Book Description :

The Second International Conference on Atomic and Nuclear Clusters '93 was orga nized in a joint effort by the 'Demokritos' National Center for Scientific Research, G. S. Anagnostatos (representing the atomic physics) and the Hahn-Meitner-Institut, W. von Oertzen (representing the nuclear physics). The subject of clusters - small aggregates of particles - is a topic of primary interest in both atomic and nuclear physics, and also in other fields like in the case of quark-structure of baryons and in cosmology. The interplay between atomic and nuclear physics is a particularly fascinating one because many concepts are common to both fields (quantal effects, shells, geometric structures, collective modes, fission etc. ) This conference was the second after the first one organized by Professor M. Brenner in Abo (Finland) in 1991. The general atmosphere of a joint forum for atomic and nuclear physicists was very fruitful and thus the decision to have a sequence of such meetings has been taken. A third one is planned in St. Petersburg (Russia) with Professor K. Gridnev (St. Petersburg) and Mme. Professor C. Bnkhignac (Orsay) as Chairpersons. The conference site, Fin\. on Santorini island (Greece), was a wonderful choice for a conference. It is small, which helps to keep people concentrated in a smaller community, it has a perfect convention center, the P. Nomikos Conference Center, and a very beautiful landscape formed by a large volcanic crater.

Characterization Properties and Applications

Characterization  Properties and Applications Book
Author : Tracey Rouault
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2017-08-21
ISBN : 3110478552
Language : En, Es, Fr & De

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Book Description :

This volume on iron-sulfur proteins includes chapters that describe the initial discovery of iron-sulfur proteins in the 1960s to elucidation of the roles of iron sulfur clusters as prosthetic groups of enzymes, such as the citric acid cycle enzyme, aconitase, and numerous other proteins, ranging from nitrogenase to DNA repair proteins. The capacity of iron sulfur clusters to accept and delocalize single electrons is explained by basic chemical principles, which illustrate why iron sulfur proteins are uniquely suitable for electron transport and other activities. Techniques used for detection and stabilization of iron-sulfur clusters, including EPR and Mossbauer spectroscopies, are discussed because they are important for characterizing unrecognized and elusive iron sulfur proteins. Recent insights into how nitrogenase works have arisen from multiple advances, described here, including studies of high-resolution crystal structures.

Handbook of Nanophysics

Handbook of Nanophysics Book
Author : Klaus D. Sattler
Publisher : CRC Press
Release : 2016-04-19
ISBN : 9781420075458
Language : En, Es, Fr & De

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Book Description :

In the 1990s, nanoparticles and quantum dots began to be used in optical, electronic, and biological applications. Now they are being studied for use in solid-state quantum computation, tumor imaging, and photovoltaics. Handbook of Nanophysics: Nanoparticles and Quantum Dots focuses on the fundamental physics of these nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances understanding of the state-of-the-art scientific content through fundamental equations and illustrations, some in color. This volume provides an overview of the major categories of nanoparticles, including amorphous, magnetic, ferroelectric, and zinc oxide nanoparticles; helium nanodroplets; and silicon, tetrapod-shaped semiconductor, magnetic ion-doped semiconductor, and natural polysaccharide nanocrystals. It also describes their properties and interactions. In the group of chapters on nanofluids, the expert contributors discuss the stability of nanodispersions, liquid slip at the molecular scale, thermophysical properties, and heat transfer. They go on to examine the theory, self-assembly, and teleportation of quantum dots. Nanophysics brings together multiple disciplines to determine the structural, electronic, optical, and thermal behavior of nanomaterials; electrical and thermal conductivity; the forces between nanoscale objects; and the transition between classical and quantum behavior. Facilitating communication across many disciplines, this landmark publication encourages scientists with disparate interests to collaborate on interdisciplinary projects and incorporate the theory and methodology of other areas into their work.

Spin States in Biochemistry and Inorganic Chemistry

Spin States in Biochemistry and Inorganic Chemistry Book
Author : Marcel Swart,Miquel Costas
Publisher : John Wiley & Sons
Release : 2015-12-14
ISBN : 1118898311
Language : En, Es, Fr & De

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Book Description :

It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.

Annual Report to Congress U S Atomic Energy Commission

Annual Report to Congress   U S  Atomic Energy Commission Book
Author : U.S. Atomic Energy Commission
Publisher : Unknown
Release : 1970
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Annual Report to Congress U S Atomic Energy Commission book written by U.S. Atomic Energy Commission, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Physics and Chemistry of Small Clusters

Physics and Chemistry of Small Clusters Book
Author : P Jena
Publisher : Springer
Release : 2014-01-15
ISBN : 9781475703580
Language : En, Es, Fr & De

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Book Description :

Download Physics and Chemistry of Small Clusters book written by P Jena, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

India in the World of Physics

India in the World of Physics Book
Author : Asoke Nath Mitra
Publisher : Pearson Education India
Release : 2009
ISBN : 9788131715796
Language : En, Es, Fr & De

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Book Description :

Contributed articles.

The Chemical Bond

The Chemical Bond Book
Author : Gernot Frenking,Sason Shaik
Publisher : John Wiley & Sons
Release : 2014-06-13
ISBN : 352766467X
Language : En, Es, Fr & De

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Book Description :

A unique overview of the different kinds of chemical bonds that can be found in the periodic table, from the main-group elements to transition elements, lanthanides and actinides. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers. This is the perfect complement to "Chemical Bonding - Fundamentals and Models" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.

Annals of the New York Academy of Sciences

Annals of the New York Academy of Sciences Book
Author : Thomas Lincoln Casey,Gilbert Van Ingen,Charles Lane Poor,Edmund Otis Hovey,Ralph Winfred Tower
Publisher : Unknown
Release : 1983
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Records of meetings 1808-1916 in v. 11-27.

Clusters

Clusters Book
Author : Minh Tho Nguyen,Boggavarapu Kiran
Publisher : Springer
Release : 2017-01-31
ISBN : 3319489186
Language : En, Es, Fr & De

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Book Description :

The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial applications. The first part of Binary Clusters is devoted to recent developments in experimental techniques, the second part covers a variety of theoretical approaches. Different theoretical methods based on group/graph theories and quantum chemical computational methods as well as various spectroscopy techniques (such as mass, laser, infrared, photoelectron etc.) are applied to the determination of the existence of geometrical and electronic structures, chemical bonding phenomena, and the thermodynamic stabilities of several classes of binary clusters. All chapters within this review volume have been contributed by experts in chemistry, physics, and material sciences based at the University of Leuven, Belgium. This book is aimed at professionals and students working in cluster science.

Nanoparticles

Nanoparticles Book
Author : Günter Schmid
Publisher : John Wiley & Sons
Release : 2011-07-26
ISBN : 3527632360
Language : En, Es, Fr & De

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Book Description :

Very small particles are able to show astonishing properties. For example, gold atoms can be combined like strings of pearls, while nanoparticles can form one-, two- and three-dimensional layers. These assemblies can be used, for instance, as semiconductors, but other electronic as well as optical properties are possible. An introduction to the booming field of "nanoworld" or "nanoscience", from fundamental principles to their use in novel applications. With its clear structure and comprehensive coverage, backed by numerous examples from recent literature, this is a prime reference for chemists and materials scientists working with and developing nanoparticle systems. A bestselling title in its second edition. A must-have reference for chemists and materials scientists.

Nanoscience

Nanoscience Book
Author : Victoria S. Coker,Mark Green,Serena Corr,Hiroaki Imai,Sarah Haigh
Publisher : Royal Society of Chemistry
Release : 2012-12-31
ISBN : 1849734356
Language : En, Es, Fr & De

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Book Description :

The field of nanoscience continues to grow at an impressive rate, with over 10,000 new articles a year contributing to a literature of more than half a million citations. Such a vast landscape of material requires careful searching to discover the most important discoveries. The newest edition to the Specialist Periodical Reports presents a digest of the last twelve months of the literature across the field. The volume editor, Professor Paul O'Brien (University of Manchester, UK) has drawn on some of the most active researchers to present critical and comprehensive reviews of the hottest topics in the field. Chapters include "Nanomaterials for solar energy", "Magnetic hyperthermia", and "Graphene and graphene-based nanocomposites". There is also a special chapter on "Nanoscience in India". Anyone practicing in any nano-allied field, or wishing to enter the nano-world will benefit from the comprehensive resource, which will be published annually.

Fundamental Nuclear Energy Research

Fundamental Nuclear Energy Research Book
Author : U.S. Atomic Energy Commission. Division of Plans and Reports,U.S. Atomic Energy Commission
Publisher : Unknown
Release : 1970
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Fundamental Nuclear Energy Research book written by U.S. Atomic Energy Commission. Division of Plans and Reports,U.S. Atomic Energy Commission, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.