Chemistry Of Nanomolecular Systems

This book describes contemporary efforts to develop nano-molecular systems for future molecular electronics in which single molecules act as the basic elements in electrical circuits. While describing frontier research, it also gives a comprehensive introduction and discusses the related work being pursued worldwide. The book is composed of three parts. The first part describes the synthesis of novel molecules for molecular nano-systems. The second part deals mainly with nano-molecular systems on solid surfaces and the evaluation of the system with SPM. The third part reviews the theory required as a background for molecular electronics.

Recently, molecular electronics, especially that utilizing single molecules, has been attracting much attention. This is mainly because the theoretical limit is approaching in the present silicon-based technology, and the development of an alternative process is strongly desired. Single-molecule electronics is aimed at a breakthrough toward the next generation of computing systems. By designing and synthesizing highly functionalized molecules of nanometer size and incorporating these molecules into electrical circuits, we shall obtain much dense and high-speed processors. The concept of single-molecule electronics was first introduced by Aviram and Ratnar in 1978. In the early 1980s, many groups all over the world had started research on molecular electronics. At that time, single-molecule manipulation techniques had not been born, and the research was mainly carried out on molecular films formed by the Langmuir~Blodgett technique, a wet process, and by molecular-beam epitaxy, a dry process. A number of prototypes of switching devices and logic gates were, however, reported in the 1980s. In the early 1990s, scanning probe microscopes became popular and researchers obtained a single-molecule manipulation and evaluation tech nique. It became possible to fabricate practical devices using single molecules or small numbers of molecules. Finally, at the end of the last century, an explosion in the research field of single-molecule electronics was witnessed. In addition, studies of "biocomputing" started in the early 1980s and significant progress was achieved in the last century.

This book describes contemporary efforts to develop nano-molecular systems for future molecular electronics in which single molecules act as the basic elements in electrical circuits. While describing frontier research, it also gives a comprehensive introduction and discusses the related work being pursued worldwide. The book is composed of three parts. The first part describes the synthesis of novel molecules for molecular nano-systems. The second part deals mainly with nano-molecular systems on solid surfaces and the evaluation of the system with SPM. The third part reviews the theory required as a background for molecular electronics.

Recently, molecular electronics, especially that utilizing single molecules, has been attracting much attention. This is mainly because the theoretical limit is approaching in the present silicon-based technology, and the development of an alternative process is strongly desired. Single-molecule electronics is aimed at a breakthrough toward the next generation of computing systems. By designing and synthesizing highly functionalized molecules of nanometer size and incorporating these molecules into electrical circuits, we shall obtain much dense and high-speed processors. The concept of single-molecule electronics was first introduced by Aviram and Ratnar in 1978. In the early 1980s, many groups all over the world had started research on molecular electronics. At that time, single-molecule manipulation techniques had not been born, and the research was mainly carried out on molecular films formed by the Langmuir~Blodgett technique, a wet process, and by molecular-beam epitaxy, a dry process. A number of prototypes of switching devices and logic gates were, however, reported in the 1980s. In the early 1990s, scanning probe microscopes became popular and researchers obtained a single-molecule manipulation and evaluation tech nique. It became possible to fabricate practical devices using single molecules or small numbers of molecules. Finally, at the end of the last century, an explosion in the research field of single-molecule electronics was witnessed. In addition, studies of "biocomputing" started in the early 1980s and significant progress was achieved in the last century.

This book presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effect advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies.

- Gives unified presentation of many of the major principles in nanotechnology: molecular-based study of condensed matter in small systems. - Authored by an expert in the molecular-based study of matter - Accessible to students, yet of interest to experts - Emphasizes the intrinsic beauty of methods of bottom-up nanotechnology - Includes many full-color figures

Using new instrumentation and experimental techniques that allow scientists to observe chemical reactions and molecular properties at the nanoscale, the authors of Surface and Nanomolecular Catalysis reveal new insights into the surface chemistry of catalysts and the reaction mechanisms that actually occur at a molecular level during catalysis. While each chapter contains the necessary background and explanations to stand alone, the diverse collection of chapters shows how developments from various fields each contributed to our current understanding of nanomolecular catalysis as a whole. The book describes how the size and shape of materials at the nanoscale can change their chemical and physical properties and promote more efficient reactions with fewer by-products. First it highlights the preparation, characterization, and applications of heterogeneous and supported metal catalysts. Then it covers the engineering of catalytic processes, structure and reaction control, and texturological properties of catalytic systems. The authors explain how surface science can elucidate reaction mechanisms and discuss the growing role of high-throughput experimentation and combinatorial approaches in catalysis. From fundamental concepts to future directions, Surface and Nanomolecular Catalysis offers a well-rounded compilation of noteworthy developments which will continue to expand and transform our understanding of catalysis, particularly in the context of clean energy and environmental applications such as fuel cells.

Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods