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Solvation, Ionic and Complex Formation Reactions in Non-Aqueous Solvents: Experimental Methods for their Investigation presents the available methods and their particular value in investigating solutions composed of non-aqueous solvents. This book is composed of 10 chapters and begins with a brief description of the complexity of the interactions possible n solutions. The subsequent chapters deal with a classification of the solvents and empirical solvent strength scales based on various experimental parameters, together with various correlations empirically describing the solvent effect. Other chapters present the methods for the purification of solvents and ways of checking their purity, as well as the individual results achieved during investigations of the solvent effect, particularly the general regularities recognized. The remaining chapters provide a review of the coordination chemistry of non-aqueous solutions. This book will prove useful to analytical and inorganic chemists.
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 110 continues to report recent advances with important, up-to-date chapters contributed by internationally recognized researchers.
Cluster Ions Edited by Cheuk-Yiu Ng, Ames Laboratory, Iowa State University, lowa, USA Tomas Baer, University of North Carolina, NC, USA Ivan Powis, University of Nottingham, UK As a result of many recent advances in both experimental techniques and theoretical methodologies, increasingly detailed and sophisticated studies concerning the formation, structures, energetics, and reaction dynamics of state- or energy-selected molecular ions can now be performed. In order better to serve the ion chemistry and physics communities, each volume of this series will be dedicated to reviewing a specific topic emphasizing new experimental and theoretical developments in the study of ions. This first volume is devoted to the physics and chemistry of clusters. Measurement of cluster ion properties, made as a function of cluster size, are expected to shed some light on the basic understanding of the transition from gas phase to condensed matter. The interest in cluster research is also motivated by the important roles that clusters play in many practical fields, such as catalysis and microelectronics. The authors of the seven chapters making up this volume are among the most active researchers in their respective areas. This series will help stimulate new research directions and point to future opportunities in the field of ion chemistry.
Trivalent lanthanide metals (Ln 3+) are among the most spectroscopically active ions in the periodic table and are characterized by their exceptional ability to absorb and emit light in the ultraviolet, visible and near infra-red regions of the electromagnetic spectrum. These ions are sensitive to the nature of their ligands, as has been evidenced from their spectral properties in different environments. In an effort to predict the behaviour of lanthanide ions in different environments, solvated Ln 3+ ions in clusters, Ln 3+ (solvent) n, were investigated as a model system. Cluster studies provide an ideal means of monitoring progressive changes in the properties of the lanthanide ions with cluster size increases. The electronic, energetic and thermodynamic properties of Ln 3+ (H 2 O) n and Ln 3+ (CH 3 CN) n clusters were simulated using a combination of quantum chemistry calculations, model potential development and Monte Carlo simulations, paying close attention to possible cluster-to-bulk transitions. The properties of small Ln 3+ (H 2 O) n clusters obtained from quantum chemistry calculations indicate, much akin to other multi-valent M q+ (H 2 O) n clusters, that the metal ion-water interactions are predominantly electrostatic. Mutual polarization of both the ion and the water molecules accounts for the large Ln 3+ (H 2 O) n cluster binding energies and the resulting structural properties of the clusters. The quantum chemistry results were the basis for designing and parameterising polarizable model potentials for use in Monte Carlo simulations. The simulations revealed that bulk-like properties of Ln 3+ (H 2 O) n clusters, namely first-shell coordination numbers and bulk thermodynamic properties, are obtained at very large cluster sizes (n> or = 64), thus showing that cluster studies are a good model for studying bulk solvation. The Ln 3+ (H 2 O) n cluster binding enthalpies were found to be quite large, even at small cluster size, implying that these species should be stable under experimental conditions. However, small clusters have rarely been observed experimentally when they contain protic solvents and charge-reduced clusters, where the metal loses its 3+ charge, are observed instead. Thus, Eu 3+ (H 2 O) n cluster deprotonation was investigated as a possible explanation for the lack of experimental observation of small Ln 3+ (H 2 O) n clusters. The small clusters were found to favour loss of (solvated) hydronium ions from the cluster, explaining the experimentally-observed, charge-reduced clusters. Only recently (June 2006) was the experimental observation of large Ln 3+ (H 2 O) n clusters (n> 15) reported. This is consistent with our prediction that deprotonation becomes less favourable with cluster size. Finally, investigation of Ln 3+ (CH 3 CN) n clusters, using a similar methodology, reveals that formation of these clusters is also energetically favourable and that convergence to bulk, structural and thermodynamic properties are obtained at smaller cluster sizes than those observed in water clusters. Given that the thermodynamic properties of Ln 3+ (CH 3 CN) n and large Ln 3+ (H 2 O) n clusters have yet to be determined, the results herein may serve as benchmarks for future experimentation.
This book attempts to answer why there is so much interest in clusters. Clusters occur on all length scales, and as a result occur in a variety of fields. Clusters are interesting scientifically, but they also have important consequences technologically. The division of the book into three parts roughly separates the field into small, intermediate, and large-scale clusters. Small clusters are the regime of atomic and molecular physics and chemistry. The intermediate regime is the transitional regime, with its characteristics including the onset of bulk-like behavior, growth and aggregation, and the beginning of materials properties. Large-scale clusters reflect more condensed-matter and materials science aspects and it is in this regime that fractals make their most dramatic appearance. This well-integrated and pedagogical overview of the wide field of clusters in which both theoretical and experimental work is covered, will be of interest not only to students, advanced undergraduates and graduate students, but also to researchers in the various subfields surveyed.