LEADER 04880nam 2200649Ia 450 001 9910139203903321 005 20180612235537.0 010 $a0-470-92085-8 010 $a1-282-68470-1 010 $a9786612684708 010 $a0-470-57305-8 010 $a0-470-57304-X 035 $a(CKB)2560000000011782 035 $a(EBL)540084 035 $a(OCoLC)642662028 035 $a(SSID)ssj0000435854 035 $a(PQKBManifestationID)11925682 035 $a(PQKBTitleCode)TC0000435854 035 $a(PQKBWorkID)10425256 035 $a(PQKB)10145771 035 $a(MiAaPQ)EBC540084 035 $a(EXLCZ)992560000000011782 100 $a20090604d2010 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aElectronic structure and properties of transition metal compounds$b[electronic resource] $eintroduction to the theory /$fIsaac B. Bersuker 205 $a2nd ed. 210 $aNew York $cWiley$dc2010 215 $a1 online resource (797 p.) 225 0 $aTextbook for graduate and advanced undergraduate students 300 $aDescription based upon print version of record. 311 $a0-470-18023-4 320 $aIncludes bibliographical references and index. 327 $aELECTRONIC 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 Schro?dinger Equation; Formulation; Role of Approximations; Summary Notes; References; 2 Atomic States 327 $a2.1 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 327 $a3.3 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 ? MOs for Octahedral O(h) Systems; Example 3.4. Construction of T(2g)-Symmetry-Adapted ? 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 327 $aReferences4 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 327 $aExample 5.1. Shortcomings of Mulliken's Definition of Atomic Charges in Molecules 330 $aWith 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 606 $aTransition metal compounds 606 $aChemistry 608 $aElectronic books. 615 0$aTransition metal compounds. 615 0$aChemistry. 676 $a546.6 676 $a546/.6 700 $aBersuker$b I. B$g(Isaak Borisovich)$0986773 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910139203903321 996 $aElectronic structure and properties of transition metal compounds$92255218 997 $aUNINA