{"product_id":"electronic-structure-and-properties-of-transition-metal-compounds-isbn-9781394178896","title":"Electronic Structure and Properties of Transition Metal Compounds","description":"\u003cp\u003e\u003cb\u003ePresents the latest achievements in the theory of electronic structure and properties of transition metal coordination compounds with applications to a range of chemical and physical problems\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003e\u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds\u003c\/i\u003e offers a detailed and authoritative account of the theory of electronic structure and the properties of transition metal compounds with applications to various chemical and physical problems. \u003c\/p\u003e\u003cp\u003eThe fully updated third edition incorporates recent developments and methods in the field, including new coverage of methods of \u003ci\u003eab initio\u003c\/i\u003e calculations of the electronic structure of coordination compounds and the application of vibronic coupling and the Jahn-Teller effect to solve coordination chemistry problems. Revised chapters provide up-to-date views on reactivity, chemical activation, and catalysis. New and expanded questions, exercises, and problems in each chapter are supported by new problem-solving examples, illustrations, graphic presentations, and references. \u003c\/p\u003e\u003cp\u003eDesigned to be intelligible to advanced students, researchers, and instructors, \u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds:\u003c\/i\u003e \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eProvides thorough coverage of the theory underlying the electronic structure and properties of transition metal compounds, including the physical methods of their investigation\u003c\/li\u003e\n\u003cli\u003eHelps readers understand the origin of observable properties in transition metal compounds and choose a suitable method of their investigation\u003c\/li\u003e\n\u003cli\u003eContains numerous problems with solutions and illustrative examples demonstrating the application of the theory to solving specific chemical and physical problems\u003c\/li\u003e\n\u003cli\u003ePresents a generalized view of the modern state of the field, beginning from the main ideas of quantum chemistry and atomic states to applications to various chemical and physical problems \u003c\/li\u003e\n\u003cli\u003eFeatures novel problems never fully considered in books on coordination chemistry, such as relativistic effects in bonding, optical band shapes, and electron transfer in mixed-valence compounds\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003e\u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds: Theory and Applications, Third Edition\u003c\/i\u003e is an excellent textbook for graduate and advanced undergraduate chemistry students, as well as a useful reference for inorganic, bioinorganic, coordination, organometallic, and physical chemists and industrial and academic researchers working in catalysis, organic synthesis, materials science, and physical methods of investigation. \u003c\/p\u003e\u003cp\u003ePreface to the Third Edition xvii\u003c\/p\u003e \u003cp\u003eExtract from the Preface to the Second Edition xix\u003c\/p\u003e \u003cp\u003eExtracts from the Preface to the First Edition xxiii\u003c\/p\u003e \u003cp\u003eForeword to the First Edition xxv\u003c\/p\u003e \u003cp\u003eMathematical Symbols xxvii\u003c\/p\u003e \u003cp\u003eAbbreviations xxxiii\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 Introduction: Subject and Methods 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e1.1 Objectives 1\u003c\/p\u003e \u003cp\u003e1.2 Definitions of Chemical Bonding and Transition Metal Coordination System 8\u003c\/p\u003e \u003cp\u003e1.3 The Schrödinger Equation 13\u003c\/p\u003e \u003cp\u003eSummary Notes 16\u003c\/p\u003e \u003cp\u003eReferences 17\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 Atomic States 19\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e2.1 One-Electron States 19\u003c\/p\u003e \u003cp\u003e2.2 Multielectron States: Energy Terms 38\u003c\/p\u003e \u003cp\u003eSummary Notes 54\u003c\/p\u003e \u003cp\u003eQuestions 55\u003c\/p\u003e \u003cp\u003eExercises and Problems 55\u003c\/p\u003e \u003cp\u003eReferences 56\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Symmetry Ideas and Group-Theoretical Description 59\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e3.1 Symmetry Transformations and Matrices 60\u003c\/p\u003e \u003cp\u003e3.2 Groups of Symmetry Transformations 66\u003c\/p\u003e \u003cp\u003e3.3 Classification of Point Groups 67\u003c\/p\u003e \u003cp\u003e3.4 Representations of Groups and Matrices of Representations 71\u003c\/p\u003e \u003cp\u003e3.5 Classification of Molecular Terms and Vibrations, Selection Rules, and The Wigner–Eckart Theorem 78\u003c\/p\u003e \u003cp\u003e3.6 Construction of Symmetrized Molecular Orbitals and Normal Vibrations 83\u003c\/p\u003e \u003cp\u003e3.7 The Notion of Double Groups 92\u003c\/p\u003e \u003cp\u003eSummary Notes 93\u003c\/p\u003e \u003cp\u003eExercises and Problems 94\u003c\/p\u003e \u003cp\u003eReferences 95\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Crystal Field Theory 97\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e4.1 Introduction 97\u003c\/p\u003e \u003cp\u003e4.2 Splitting of the Energy Levels of One d Electron in Ligand Fields 99\u003c\/p\u003e \u003cp\u003e4.3 Several d Electrons 114\u003c\/p\u003e \u003cp\u003e4.4 f-Electron Term Splitting 134\u003c\/p\u003e \u003cp\u003e4.5 Crystal Field Parameters and Extrastabilization Energy 137\u003c\/p\u003e \u003cp\u003e4.6 Limits of Applicability of Crystal Field Theory 141\u003c\/p\u003e \u003cp\u003eSummary Notes 143\u003c\/p\u003e \u003cp\u003eQuestions 144\u003c\/p\u003e \u003cp\u003eExercises and Problems 145\u003c\/p\u003e \u003cp\u003eReferences 146\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Molecular Orbitals and Related Description of Electronic Structure 149\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e5.1 Basic Ideas of the MO LCAO Method 149\u003c\/p\u003e \u003cp\u003e5.2 Charge Distribution and Bonding in the MO LCAO Method. The Case of Weak Covalency 161\u003c\/p\u003e \u003cp\u003e5.3 Methods of Calculation of MO Energies and LCAO Coefficients 173\u003c\/p\u003e \u003cp\u003e5.4 Density Functional Theory 192\u003c\/p\u003e \u003cp\u003e5.5 Electronic Structure Calculations for Large Polyatomic Systems 209\u003c\/p\u003e \u003cp\u003e5.6 Comparison of Methods and Computer Programs 232\u003c\/p\u003e \u003cp\u003eSummary Notes 239\u003c\/p\u003e \u003cp\u003eExercises and Problems 240\u003c\/p\u003e \u003cp\u003eReferences 241\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Electronic Structure and Chemical Bonding 249\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e6.1 Classification of Chemical Bonds by Electronic Structure and Role of \u003ci\u003ed\u003c\/i\u003e and \u003ci\u003ef\u003c\/i\u003e Electrons in Coordination Bonding 249\u003c\/p\u003e \u003cp\u003e6.2 Qualitative Aspects and Electronic Configurations 258\u003c\/p\u003e \u003cp\u003e6.3 Ligand Bonding 267\u003c\/p\u003e \u003cp\u003e6.4 Energies, Geometries, and Charge Distributions 303\u003c\/p\u003e \u003cp\u003e6.5 Relativistic Effects 315\u003c\/p\u003e \u003cp\u003eSummary Notes 332\u003c\/p\u003e \u003cp\u003eExercises and Problems 333\u003c\/p\u003e \u003cp\u003eReferences 335\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 Vibronic Coupling in Formation, Deformation, and Transformation of Polyatomic Systems. The Jahn–Teller Effects 343\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e7.1 Molecular Vibrations 344\u003c\/p\u003e \u003cp\u003e7.2 Vibronic Coupling 356\u003c\/p\u003e \u003cp\u003e7.3 The Jahn–Teller Effects 363\u003c\/p\u003e \u003cp\u003e7.4 Pseudo-Jahn–Teller Effect and the Two-Level Paradigm 396\u003c\/p\u003e \u003cp\u003eSummary Notes 415\u003c\/p\u003e \u003cp\u003eExercises and Problems 416\u003c\/p\u003e \u003cp\u003eReferences 417\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 Electronic Structure Investigated by Physical Methods 421\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e8.1 Band Shapes of Electronic Spectra 422\u003c\/p\u003e \u003cp\u003e8.2 \u003ci\u003ed–d\u003c\/i\u003e, Charge Transfer, Infrared, and Raman Spectra 436\u003c\/p\u003e \u003cp\u003e8.3 X-ray and Ultraviolet Photoelectron Spectra; EXAFS 457\u003c\/p\u003e \u003cp\u003e8.4 Magnetic Properrties 474\u003c\/p\u003e \u003cp\u003e8.5 Gamma-resonance Spectroscopy 503\u003c\/p\u003e \u003cp\u003e8.6 Electron Charge and Spin Density distribution in Diffraction Method 514\u003c\/p\u003e \u003cp\u003eSummary Notes 526\u003c\/p\u003e \u003cp\u003eExercises and Problems 528\u003c\/p\u003e \u003cp\u003eReferences 532\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 Stereochemistry and Crystal Chemistry 539\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e9.1 Definitions. Semiclassical Approaches 539\u003c\/p\u003e \u003cp\u003e9.2 Vibronic Effects in Stereochemistry 555\u003c\/p\u003e \u003cp\u003e9.3 Mutual Influence of Ligands 580\u003c\/p\u003e \u003cp\u003e9.4 Crystal Stereochemistry 591\u003c\/p\u003e \u003cp\u003ePhase Transitions and Helicoidal Structures 603\u003c\/p\u003e \u003cp\u003eSummary Notes 610\u003c\/p\u003e \u003cp\u003eExercises and Problems 612\u003c\/p\u003e \u003cp\u003eReferences 613\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Charge Transfer, Redox Properties, and Electron-conformational Effects 619\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e10.1 Electron Transfer and Charge Transfer by Coordination 619\u003c\/p\u003e \u003cp\u003e10.2 Electron Transfer in Mixed-Valence Compounds 633\u003c\/p\u003e \u003cp\u003e10.3 Electron-Conformational Effects In Biological Systems 652\u003c\/p\u003e \u003cp\u003eSummary Notes 661\u003c\/p\u003e \u003cp\u003eExercises and Problems 662\u003c\/p\u003e \u003cp\u003eReferences 663\u003c\/p\u003e \u003cp\u003e\u003cb\u003e11 Reactivity and Catalytic Action 667\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e11.1 Electronic Factors in Reactivity 667\u003c\/p\u003e \u003cp\u003e11.2 Electronic Control of Chemical Activation Via Vibronic Coupling 682\u003c\/p\u003e \u003cp\u003e11.3 Direct Computation of Energy Barriers of Chemical Reactions 706\u003c\/p\u003e \u003cp\u003eSummary Notes 733\u003c\/p\u003e \u003cp\u003eQuestions and Problems 734\u003c\/p\u003e \u003cp\u003eReferences 736\u003c\/p\u003e \u003cp\u003eAppendix 1. Tables of Characters of Irreducible Representations of Most Usable Symmetry Point Groups and Direct Products of Some Representations 741\u003c\/p\u003e \u003cp\u003eAppendix 2. General Expressions for the Matrix Element \u003ci\u003ev\u003csub\u003emm\u003c\/sub\u003e\u003c\/i\u003e of Perturbation of the States of one d Electron in Crystal Fields of Arbitrary Symmetry 747\u003c\/p\u003e \u003cp\u003eAppendix 3. Calculation of the Destabilization and Splitting of the States of One d Electron in Crystal Fields of Different Symmetries 751\u003c\/p\u003e \u003cp\u003eAppendix 4. Matrix Elements of Crystal Field Perturbation of a Two-Electron Term \u003ci\u003eF\u003c\/i\u003e(\u003ci\u003end\u003c\/i\u003e)\u003csup\u003e2\u003c\/sup\u003e, V\u003ci\u003e\u003csub\u003eij\u003c\/sub\u003e\u003c\/i\u003e , \u003ci\u003ei\u003c\/i\u003e, \u003ci\u003ej\u003c\/i\u003e = 1,2, …, 7 Expressed by One-Electron Matrix Elements \u003ci\u003eV\u003csub\u003emm\u003c\/sub\u003e\u003c\/i\u003e Given in Appendix 2 757\u003c\/p\u003e \u003cp\u003eAppendix 5. Matrix Elements of Crystal Field Perturbation of \u003ci\u003ef-Electron States 759\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003eAnswers and Solutions 763\u003c\/p\u003e \u003cp\u003eSubject Index 817\u003c\/p\u003e  \u003cp\u003e\u003cb\u003eIsaac B. Bersuker, PhD, DSc,\u003c\/b\u003e was a Senior Research Scientist and Professor of Theoretical Chemistry, presently affiliated with the Oden Institute of the University of Texas at Austin. He is a member of the Academy of Sciences of Moldova and the recipient of numerous awards, including the Medal of Honor (Republic of Moldova), the David Ben-Gurion Medal (Be’er Sheva University), and the Chugaev Medal (Russian Academy of Sciences). Dr. Bersuker has published 425 peer-reviewed papers, authored 15 books and 35 major reviews, and supervised more than 50 PhD. Based on AI investigation, Special Institute ScholarGPS revealed that Dr. Bersuker is a 0.5% Top Scholar worldwide (Wikipedia). \u003c\/p\u003e\u003cp\u003e\u003cb\u003eYang Liu, PhD,\u003c\/b\u003e is an Associate Professor in the School of Chemistry and Chemical Engineering at Harbin Institute of Technology (China). She obtained her PhD from Jilin University (China), and conducted her postdoctoral research with Prof. Issac B. Bersuker and Prof. James E. Boggs at the University of Texas at Austin (USA) and with Prof. Dong-Sheng Yang at the University of Kentucky (USA). She has broad research interests in theoretical and computational chemistry, photochemistry, and catalytic chemistry, particularly vibronic interaction and symmetry-related research topics for molecules and solid materials with applications in physics, chemistry, environment, and biology. She has published more than 60 scientific papers and granted several patents.   \u003c\/p\u003e\u003cp\u003e\u003cb\u003ePresents the latest achievements in the theory of electronic structure and properties of transition metal coordination compounds with applications to a range of chemical and physical problems\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003e\u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds\u003c\/i\u003e offers a detailed and authoritative account of the theory of electronic structure and the properties of transition metal compounds with applications to various chemical and physical problems. \u003c\/p\u003e\u003cp\u003eThe fully updated third edition incorporates recent developments and methods in the field, including new coverage of methods of \u003ci\u003eab initio\u003c\/i\u003e calculations of the electronic structure of coordination compounds and the application of vibronic coupling and the Jahn-Teller effect to solve coordination chemistry problems. Revised chapters provide up-to-date views on reactivity, chemical activation, and catalysis. New and expanded questions, exercises, and problems in each chapter are supported by new problem-solving examples, illustrations, graphic presentations, and references. \u003c\/p\u003e\u003cp\u003eDesigned to be intelligible to advanced students, researchers, and instructors, \u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds:\u003c\/i\u003e \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eProvides thorough coverage of the theory underlying the electronic structure and properties of transition metal compounds, including the physical methods of their investigation\u003c\/li\u003e\n\u003cli\u003eHelps readers understand the origin of observable properties in transition metal compounds and choose a suitable method of their investigation\u003c\/li\u003e\n\u003cli\u003eContains numerous problems with solutions and illustrative examples demonstrating the application of the theory to solving specific chemical and physical problems\u003c\/li\u003e\n\u003cli\u003ePresents a generalized view of the modern state of the field, beginning from the main ideas of quantum chemistry and atomic states to applications to various chemical and physical problems \u003c\/li\u003e\n\u003cli\u003eFeatures novel problems never fully considered in books on coordination chemistry, such as relativistic effects in bonding, optical band shapes, and electron transfer in mixed-valence compounds\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003e\u003ci\u003eElectronic Structure and Properties of Transition Metal Compounds: Theory and Applications, Third Edition\u003c\/i\u003e is an excellent textbook for graduate and advanced undergraduate chemistry students, as well as a useful reference for inorganic, bioinorganic, coordination, organometallic, and physical chemists and industrial and academic researchers working in catalysis, organic synthesis, materials science, and physical methods of investigation.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47989117583589,"sku":"NP9781394178896","price":225.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9781394178896.jpg?v=1761782867","url":"https:\/\/k12savings.com\/products\/electronic-structure-and-properties-of-transition-metal-compounds-isbn-9781394178896","provider":"K12savings","version":"1.0","type":"link"}