David M. P. Mingos Livres

Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for d n complexes are modeled for a wide range of the crystal-field strengths.

The series Structure and Bonding publishes critical reviews on research topics related to chemical structure and bonding, encompassing the entire Periodic Table. It addresses structural and bonding issues for all elements and emphasizes emerging areas in modern structural and theoretical chemistry, including nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters, and supramolecular structures. The series covers physical and spectroscopic techniques for examining and modeling structures, focusing on scientific results rather than technical details. It also explores the development of bonding models and generalizations that clarify reactivity pathways and chemical process rates. Each volume is thematic, aiming to provide readers in academia and industry with a comprehensive overview of emerging insights of broader scientific interest. Reviews critically survey specific aspects of the topic and situate them within the overall context of the volume. Significant developments from the last 5 to 10 years are highlighted through selected examples. While not exhaustive in data, the coverage emphasizes conceptual understanding of new principles, making it accessible to non-specialists. Discussions on potential future research directions are encouraged, and volume editors invite review articles for inclusion.

The series covers the entire Periodic Table, addressing structure and bonding issues for all elements while highlighting modern structural and theoretical chemistry developments, including nanostructures, molecular electronics, and supramolecular structures. It emphasizes physical and spectroscopic techniques used to model and examine structures, focusing on scientific results rather than technical details. The series also explores bonding models and generalizations that clarify reactivity pathways and rates of chemical processes. Each volume is thematic, aiming to provide a comprehensive overview of emerging insights relevant to a broader scientific audience, whether in academia or industry. Reviews critically survey specific aspects of a topic within the volume's context, showcasing significant developments from the past 5 to 10 years through selected examples. While not exhaustive in data, the focus is on conceptual understanding of new principles, making the material accessible to non-specialists. Descriptions of the physical basis of experimental techniques may be included if not extensively covered elsewhere. Discussions on potential future research directions are encouraged, and volume editors invite review articles for each installment.

The series Structure and Bonding publishes critical reviews on research topics related to chemical structure and bonding, covering the entire Periodic Table. It addresses structural and bonding issues for all elements and highlights emerging areas in modern structural and theoretical chemistry, including nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters, and supramolecular structures. The series encompasses physical and spectroscopic techniques for determining and modeling structures, focusing on scientific results rather than technical details. It also explores bonding models and generalizations that clarify reactivity pathways and rates of chemical processes. Each volume is thematic, aiming to provide a comprehensive overview of areas with emerging insights that interest a broader scientific audience. Reviews critically survey specific aspects of the topic, contextualizing them within the volume. Significant developments from the last 5 to 10 years are presented with selected examples to illustrate key principles. While not exhaustive in data, the coverage emphasizes conceptual understanding, enabling non-specialists to grasp the presented data. Future research directions in the field are encouraged. Volume editors invite review articles for individual volumes.

The series Structure and Bonding publishes critical reviews on research related to chemical structure and bonding, covering the entire Periodic Table and addressing issues linked to all elements. It emphasizes emerging areas in structural and theoretical chemistry, including nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters, and supramolecular structures. The series encompasses physical and spectroscopic techniques for determining and modeling structures, focusing on scientific results rather than technical details. It also explores the development of bonding models and generalizations that illuminate reactivity pathways and rates of chemical processes. Each volume is thematic, aiming to provide a comprehensive overview of areas with emerging insights of interest to a broader scientific audience. Reviews within the volume critically survey specific aspects of the topic and contextualize them within the volume. Significant developments from the last 5 to 10 years are highlighted through selected examples. While not exhaustive, the coverage is conceptual, focusing on new principles to help non-specialists understand the data presented. Future research directions in the area are encouraged, and review articles are invited by the volume editors.

A.E. Aliev, K.D.M. Harris: Probing Hydrogen Bonding in Solids Using Solid State NMR Spectroscopy; A.D. Burrows: Crystal Engineering Using Multiple Hydrogen Bonds; D.R. Turner, A. Pastor, M. Alajarin, J.W. Steed: Molecular Containers: Design Approaches and Applications.

This book presents the fundamentals of bonding in polyoxometalates and related oxides based on classical bonding concepts and the bond valence model. The in-depth treatment includes a revision of the procedure for the determination of the parameters of bond length-bond valence functions, the application of the bond valence model to polyoxometalates and related oxides, and the explanation of the distribution of the bond valences, and hence of the bond lengths, over the metal-oxygen bond and of the ionic charge on the oxygen atoms. Numerous tables and figures underline and illuminate the results. The principal author is a leader in the field of polyoxometalate chemistry. This work provides for the first time a comprehensive analysis of the structure and bonding in polyoxometalates, based on classical chemical concepts and the bond valence approach, and as such is a valuable resource for chemists, physicists and material scientists working in the field.