04967nam 2200697Ia 450 991101965220332120200520144314.097866126847089780470920855047092085897812826847061282684701978047057305104705730589780470573044047057304X(CKB)2560000000011782(EBL)540084(OCoLC)642662028(SSID)ssj0000435854(PQKBManifestationID)11925682(PQKBTitleCode)TC0000435854(PQKBWorkID)10425256(PQKB)10145771(MiAaPQ)EBC540084(Perlego)1009184(EXLCZ)99256000000001178220090604d2010 uy 0engur|n|---|||||txtccrElectronic structure and properties of transition metal compounds introduction to the theory /Isaac B. Bersuker2nd ed.New York Wileyc20101 online resource (797 p.)Textbook for graduate and advanced undergraduate studentsDescription based upon print version of record.9780470180235 0470180234 Includes bibliographical references and index.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 States2.1 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 Classes3.3 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; ExercisesReferences4 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 ConfigurationsExample 5.1. Shortcomings of Mulliken's Definition of Atomic Charges in MoleculesWith 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, anTransition metal compoundsChemistryTransition metal compounds.Chemistry.546/.6Bersuker I. B(Isaak Borisovich)1838748MiAaPQMiAaPQMiAaPQBOOK9911019652203321Electronic structure and properties of transition metal compounds4418846UNINA