Symmetry in inorganic and coordination compounds : a student's guide to understanding electronic structure / / Franca Morazzoni

• Record Nr.: UNINA9910483788603321
• Autore: Morazzoni Franca
• Pubbl/distr/stampa: Cham, Switzerland : , : Springer, , [2021]; ©2021
• ISBN: 3-030-62996-1
• Descrizione fisica: 1 online resource (196 pages)
• Collana: Lecture Notes in Chemistry ; ; v.106
• Disciplina: 541.22
• Soggetti: Inorganic compounds - Structure
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Nota di contenuto: Intro -- Preface -- Acknowledgements -- Introduction -- Contents -- About the Author -- 1 The Electronic Structure Determination -- 1.1 Variation Method (Molecular Orbital Linear Combination of Atomic Orbitals, MO-LCAO) -- 1.2 A Matrix Formulation of MO Calculations -- 1.3 The Hückel Approximation -- 1.3.1 The Case of the Allyl Anion (MO-LCAO by π Orbitals) -- 1.4 The Extended Hückel Procedure -- 1.5 Group Theory -- 1.5.1 Rules for the Elements Which Constitute a Group -- 1.5.2 Group Multiplication Tables -- 1.5.3 Representation of Symmetry Operations by Matrices -- 1.6 Irreducible Representations -- 1.6.1 Character Table of groups -- 1.6.2 Factoring the Total Representations into Irreducible Representation -- 1.6.3 Relation Between Molecular Wave Functions and Irreducible Representations -- 1.6.4 Obtaining Molecular Orbitals with a Given Symmetry -- 2 Symmetry Orbitals for Different Bis and Polyatomic Molecules -- 2.1 Homonuclear Diatomic Molecules A-A of the Periodic Table First Row -- 2.2 Water Molecule, as Example of Triatomic Molecule -- 2.3 Ammonia Molecule, as Example of Tetratomic Molecule -- 2.4 Methane Molecule, as Example of Pentatomic Molecule -- 2.5 Considerations About the Models of Chemical Bond in Use Before the Adoption of the Symmetry Molecular Orbital Model -- 3 Perturbation Theory -- 3.1 Interelectronic Repulsion Perturbation -- 3.2 Spin-Orbit Coupling Perturbation -- 3.3 Crystal Field Perturbation -- 3.3.1 Use of the Group Theory to Predict the Orbital Spitting in a Given Symmetry -- 3.4 ; Examples of Attribution of the Absorption Bands -- 3.5 Crystal Field Limits -- 3.6 Effect of Distortion from Cubic Symmetry -- 4 Magnetism -- 4.1 Interaction Between Electrons and Magnetic Field -- 4.2 Magnetic Susceptibility Expression for S = 1/2 -- 4.3 Electron Spin Resonance -- 4.3.1 Hyperfine Nuclear Interaction.; 4.3.2 Hyperfine Interaction by Quantum Mechanical Approach -- 4.3.3 The Electronic Interaction with the Magnetic Field in Oriented Systems -- 4.3.4 The Electronic Interaction with the Magnetic Field in Oriented Systems -- 4.3.5 The Origin of the g Anisotropic Behavior -- 4.3.6 g Expressions for a d1 Electronic Configuration in Tetragonal Symmetry Field -- 4.3.7 g Tensor Dependence on the Energy Level Trend of the Paramagnetic Centers -- 5 The Symmetry Properties Describe the Electronic Structure of Inorganic and Coordination Compounds -- 5.1 The Case of [Fe3 Pt3 (CO)15]n− n = 2, 1, and of [Fe3 Pt3 (CO)15]2-n -- 5.2 Discussion of the Case -- 5.2.1 X-Ray Diffraction Studies -- 5.2.2 Diffuse Reflectance Spectra -- 5.2.3 Electron Spin Resonance (ESR) Spectra -- 5.3 Chemical Message -- 5.4 The Case of Adducts of NN'Ethylenebis (acetylacetoneiminato)Cobalt (II) -- 5.5 Discussion of the Case -- 5.6 Chemical Message -- 5.7 The Case of Phthalocyaninato Co(II) -- 5.8 Discussion of the Case -- 5.8.1 Electron Spin Resonance (ESR) Spectra -- 5.8.2 Diffuse Reflectance Spectra -- 5.9 Chemical Message -- 5.10 The Case of Oxygen Reduction by CoPc Supported on Inorganic Oxide -- 5.11 Discussion of the Case -- 5.12 Chemical Message -- 5.13 The Case of Metal-Dispersed Inorganic Oxides -- 5.14 Discussion of the Case -- 5.14.1 Electron Spin Resonance of Decarbonylated Systems -- 5.14.2 Interaction with Oxygen -- 5.14.3 Interaction with Carbon Monoxide -- 5.14.4 Interaction with Carbon Monoxide and Oxygen -- 5.15 Chemical Message -- 5.16 The Case of Phosphate Glasses Containing Ruthenium and Titanium Ions -- 5.17 Discussion of the Case -- 5.18 Chemical Message -- 5.19 The Case of Superoxide Dismutase Enzyme, Interacting with Antitumor Drugs -- 5.20 Discussion of the Case -- 5.21 Chemical Message -- 5.22 The Case of Generation of Free Radicals in Intact Tissues.; 5.23 Discussion of the Case -- 5.24 Chemical Message -- 5.25 The Case of Functional Defects in Semiconductor Oxides: ZnO -- 5.26 Discussion of the Case -- 5.27 Chemical Message -- 5.28 The Case of Functional Defects in Semiconductor Oxides: SnO2 -- 5.29 Discussion of the Case -- 5.29.1 Air Interaction with SnO2 -- 5.29.2 Argon Interaction with SnO2 -- 5.29.3 H2 and CO Interaction with SnO2, in the Presence of Air -- 5.30 Chemical Message -- 5.31 The Case: Enhancing of the Oxide Sensing Properties by Transition Metal Ions -- 5.32 Discussion of the Case -- 5.33 Chemical Message -- 5.34 The Case of the Inhibitory Effect of Cu(II) Toward Protein Kinase C -- 5.35 Discussion of the Case -- 5.36 Chemical Message -- 5.37 The Case of the Catalytic Oxidation of Propenoidic Phenols -- 5.38 Discussion of the Case -- 5.39 The Case of Sn-Doped Solgel Silica Glasses -- 5.40 Discussion of the Case -- 5.41 Chemical Message -- 5.42 The Cases of Photocatalytic TiO2 -- 5.43 Discussion of the Case -- 5.44 Chemical Message -- 5.45 The Case of Shape-Controlled TiO2 Nanoparticles -- 5.46 Discussion of the Case -- 5.47 Chemical Message -- 5.48 The Case of Charge Separation in TiO2 Embedded in Membrane -- 5.49 Discussion of the Case -- 5.50 Chemical Message -- 5.51 The Case of Shape-Controlled SnO2 -- 5.52 Discussion of the Case -- 5.52.1 Shape and Structure -- 5.52.2 Identification of Defects -- 5.52.3 Electrical Response -- 5.53 Chemical Message -- 5.54 The Case of Silica-Natural Rubber Composites -- 5.54.1 Morphology of the Dispersed Filler -- 5.54.2 Spin Probe Procedure -- 5.55 Chemical Message -- 5.56 The Case of Cis Diamino Dichloro Platinum (Cisplatin) Antitumor Drug [Pt; (NH)3Cl2]: Mechanism of Combinational Chemo-radiotherapy -- 5.57 Discussion of the Case -- 5.58 Chemical Message -- 5.59 The Case of Graphite Particles that Induce Reactive Oxygen Species in Cells.; 5.60 Discussion of the Case -- 5.61 Chemical Message -- 5.62 The Interaction of Graphite Defects with Oxygen Treated by Structural Studies -- 5.63 Discussion of the Case -- 5.63.1 Electrochemistry -- 5.63.2 Electron Spin Resonance Measurements -- 5.64 Chemical Message -- 5.65 The Case of Persistent Free Radicals in the Atmosphere -- 5.66 Discussion of the Case -- 5.67 Chemical Message -- Tables of Characters Used in the Reported Molecules are in Appendix -- Tanabe and Sugano Diagrams -- Character Tables for Relevant Symmetry Groups -- Properties of Vectors -- Properties of Matrices -- References.