Electronic structure and properties of transition metal compounds [[electronic resource] ] : introduction to the theory / / Isaac B. Bersuker

• Autore: Bersuker I. B (Isaak Borisovich)
• Pubblicazione: New York, : Wiley, c2010
• Edizione: 2nd ed.
• Descrizione fisica: 1 online resource (797 p.)
• Disciplina: 546.6; 546/.6
• Soggetto topico: Transition metal compounds; Chemistry
• Soggetto genere / forma: Electronic books.
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: ELECTRONIC STRUCTURE AND PROPERTIES OF TRANSITION METAL COMPOUNDS; CONTENTS; Preface; Foreword to the First Edition; Mathematical Symbols; Abbreviations; 1 Introduction: Subject and Methods; 1.1 Objectives; Molecular Engineering and Intuitive Guesswork; Main Objectives of This Book in Comparison with Other Sources; 1.2 Definitions of Chemical Bonding and Transition Metal Coordination System; Chemical Bonding as an Electronic Phenomenon; Definition of Coordination System; 1.3 The Schrödinger Equation; Formulation; Role of Approximations; Summary Notes; References; 2 Atomic States ; 2.1 One-Electron StatesAngular and Radial Functions; Orbital Overlaps: Hybridized Functions; Spin-Orbital Interaction; Relativistic Atomic Functions; 2.2 Multielectron States: Energy Terms; Electronic Configurations and Terms; Multielectron Wavefunctions; Slater-Condon and Racah Parameters; The Hartree-Fock Method; Summary Notes; Questions; Exercises and Problems; References; 3 Symmetry Ideas and Group-Theoretical Description; 3.1 Symmetry Transformations and Matrices; 3.2 Groups of Symmetry Transformations; Example 3.1. The Symmetry Group of an Octahedral O(h) System and Its Classes ; 3.3 Representations of Groups and Matrices of Representations3.4 Classification of Molecular Terms and Vibrations, Selection Rules, and Wigner-Eckart Theorem; Example 3.2. Energy Terms of Electronic Configuration e(2); 3.5 Construction of Symmetrized Molecular Orbitals and Normal Vibrations; Example 3.3. Construction of E(g)-Symmetry-Adapted σ MOs for Octahedral O(h) Systems; Example 3.4. Construction of T(2g)-Symmetry-Adapted π MOs for Octahedral O(h) Systems; Example 3.5. Normal Coordinates of a Regular Triangular Molecule X(3); 3.6 The Notion of Double Groups; Summary Notes; Exercises ; References4 Crystal Field Theory; 4.1 Introduction; Brief History; Main Assumptions; 4.2 Splitting of the Energy Levels of One d Electron in Ligand Fields; Qualitative Aspects and Visual Interpretation; Calculation of the Splitting Magnitude; Example 4.1. Splitting of a d-Electron Term in Octahedral Crystal Fields; Group-Theoretical Analysis; 4.3 Several d Electrons; Case of a Weak Field; Strong Crystal Fields and Low- and High-Spin Complexes; Example 4.2. High- and Low-Spin Octahedral Complexes of Iron; Energy Terms of Strong-Field Configurations ; Example 5.1. Shortcomings of Mulliken's Definition of Atomic Charges in Molecules
• Sommario/riassunto: With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, an
• Titolo autorizzato: Electronic structure and properties of transition metal compounds
• ISBN: 0-470-92085-8; 1-282-68470-1; 9786612684708; 0-470-57305-8; 0-470-57304-X
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910139203903321
• Lo trovi qui: Univ. Federico II