Symmetry in Inorganic and Coordination Compounds: A Student's Guide to Understanding Electronic Structure (Lecture Notes in Chemistry, 106)

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