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FROM SIMPLE TO COMPLEX COMPOUNDS
Metal amine complexes: bonding and geometry
Metal complexes of multidentate ligands: deviations from regular
geometries
Linkage isomerism: the nitro-nitrito interconversion
Multidentate ligands with more sophisticated shapes: rings and
cages
The metal template synthesis of macrocycles
The metal template synthesis of catenanes
Self-assembling driven by metal centres: helicates and grids
Coordination assemblies made on PdII building blocks
The coordination chemistry of anions
CHEMISTRY OF METALS
Structural and physical properties of metals
General aspects of extracting metallurgy
Historical background
Extracting metallurgy
Alloying behavior
Introduction
Phase diagrams
Real phase diagrams
Qualitative prediction of
alloying behaviour
Intermetallic phases
Introduction
Identification of intermetallic
phases
Terminal (or primary) solid
solutions
Superlattices
Metastable solid solutions
Intermetallic compounds
Synthesis of intermetallic
phases
Uses of intermetallic phases
INORGANIC SYNTHESIS
Coordination
compounds: generality
Werner complexes
Organometallic complexes
Metal carbonyls
Binary cyclopentadienyl
derivatives
Metal arene derivatives
Coordination
compounds: reactivity
Substitution reactions
Redox reactions
Oxidative addition / Reductive
elimination.
Insertion reactions
RADICAL REACTIONS WITH METAL
COMPLEXES IN AQUEOUS SOLUTIONS
Radicals and their role in chemical processes with emphasis on
biological systems
The chemistry of radicals
Initiation, Propagation,
Termination
Formation of Radicals
Redox Properties of Radicals
Detection of Radicals
Important types of Radicals
Inorganic Radicals
Hydroxyl Radicals
Superoxide Radicals
Dihalogen Radicals
Sulfur Oxide Radicals
Organic Radicals
Aliphatic Carbon Centered
Radicals
Aliphatic Peroxyl Radicals
Thyil Radicals
Stable Radicals
Dioxygen
Nitrogen Oxide , Nitrogen
Dioxide
Organic Radicals, e.g.
Antioxidants, Nitroxides,
Methylviologen, DPPH
The Role of transition metal complexes in radical chemistry
Reactions with Aliphatic and
Aliphatic Peroxyl Radicals
Reactions with Aliphatic
Radicals
Redox Reactions of Radicals with
Transition Metal Complexes
Formation of Transition Metal
Complexes with Metal-carbon
σ-bonds.
Reactions with Aliphatic Peroxyl
Radicals
Fenton-like Reactions
Transition Metal Complexes with
Ligand Radicals
MAGNETIC AND OPTICAL PROPERTIES
Electronic structure of
Transition Metal ions
Free ion
Coordination complexes
The ligand field approach
Principles of optical
spectroscopy
Rationalization of Uv-Vis
spectra
Optical properties of
polynuclear species
The spin Hamiltonian formalism
Magnetic properties of metal
complexes
First transition row
Second-third transition row
Magnetism of rare earth ions
Magnetism of polynuclear systems
Highlights of recent research
breakthroughs
INORGANOMETALLIC CHEMISTRY
Definition of inorganometallic vs. organometallic chemistry
Inorganometallic compounds containing transition metal (TM)- main
group metal (E) bond -
synthesis, structure and
reactivity
Inorganometallic complexes of TM
with group 13 elements
Inorganometallic complexes of TM
with boron
Inorganometallic complexes of TM
with heavier elements of group
13
Inorganometallic complexes of TM with group 14 elements
Inorganometallic complexes of TM with group 15 elements
Inorganometallic complexes of TM with group 16 elements
Inorganometallic clusters
Inorganometallics and catalysis
Special applications of TM-E compounds
Inorganometallics as precursors
of optoelectronic materials
Inorganometallic ceramics
HIGH TEMPERATURE MATERIALS AND SOLID STATE CHEMISTRY
Importance of solids
Crystalline solids
Chemical classification of solids
Covalent solids
Ionic solids
Metallic solids
Molecule-based solids
Bonding in solids
Introduction
Band
theory
Metals, semiconductors and
insulators
Electrical behavior of metal
depending on temperature
Optical Properties of Solids
Superconductors
Properties and technological applications
Defects in solids
Selected classes of inorganic solids
Hybrid Organic-Inorganic Layered
perovskite halides
Inorganic materials for
lithium-ion batteries
Inorganic and molecular
superconductors
Multifunctional
organic-inorganic hybrid solids
High Temperature Materials
Method of synthesis
INORGANIC BIOCHEMISTRY
Historical background
The philosophy of model chemistry
The role of metal cofactors
The
metals of biology
Iron
Zinc
Copper
Molybdenum and tungsten
Nickel
Vanadium
Alkali and alkaline earth
cations
The role of special metal cofactors
Tetrapyrroles
Hemes
Chlorophylls
Corrins
Coenzyme F430
Metalloclusters
Iron-sulfur clusters
Complex metalloclusters
Metalloclusters in nitrogenases
Metalloclusters in hydrogenases
Metalloclusters in nitrous oxide
reductase
The
metallocluster of the
oxygen-evolving center of
photosystem II
Metalloclusters in carbon
monoxide dehydrogenase/acetyl
coenzyme A synthase
INORGANIC REACTION MECHANISMS
Introduction
Historical background.
Planning a mechanistic study
Kinetic techniques.
Probing a reaction mechanism.
A classification of inorganic reactions
Ligand substitution reactions
Langford -Gray classification of
mechanisms.
Ligand substitution at square planar-complexes.
The kinetics and mechanism of
substitution.
The stereochemistry of the
substitution.
Nucleophilicity scale for
platinum (II).
The trans – effect
The dissociative mechanism for
substitution.
Ligand substitution at octahedral complexes.
Ligand replacement on hexaaqua
ions.
Complex formation. The Eigen-Wilkins
mechanism.
Solvolysis Reactions on Co(III)
Amine Complexes.
Stereochemistry of Octahedral
Substitution.
Base hydrolysis and the SN1CB
mechanism on CoIII
amine complexes.
Stereochemical nonrigidity of ligands.
Geometrical Isomerization of
Square-Planar Complexes.
Redox reactions.
Inner-sphere mechanism.
Outer-sphere Reactions.
CLUSTERS AND POLYNUCLEAR
COMPOUNDS
Introduction: The ubiquity of cage compounds in the Periodic Table
and the relationships between
molecular compounds and
condensed phases.
Clusters of the p-block elements
Clusters of p-block elements in
a ligand shell: Boron hydrides
Clusters in a ligand shell
of the heavier elements of group
13 and 14
Bare clusters of p-block elements
Clusters of d-block elements
Low-valent Metal Clusters
Metal Carbonyl Clusters
Homometallic Metal Carbonyl
Clusters
Metal carbonyl clusters containing interstitial main group
heteroatoms
Mixed-metal
carbonyl clusters
Phosphine-substituted Carbonyl
Metal Clusters
Bonding in
Metal Carbonyl Clusters
Properties and
Applications of Metal Carbonyl
Clusters
Low valent metal clusters stabilized by other σ−π ligands
Clusters of late transition
metals stabilized by phosphines:
The thin border between clusters
and colloids
High-valent Metal Clusters
Halide Clusters of Early
Transition Metals
Polynuclear Compounds
Polyoxometallates and
related compounds
Polynuclear compounds of
transition and post-transition
metals with bridging and
polydentate ligands
SYNTHESIS AND SPECTROSCOPY OF
TRANSITION METAL COMPLEXES
Synthesis of Transition Metal Complexes
Spectroscopy of Transition Metal Complexes
Synthesis by Substitution
Reactions
Synthesis by Oxidation/Reduction
Reactions
Synthesis by Addition Reactions
Synthesis by Dissociation
Reactions
Synthesis by Reaction of Coordinated Ligands
Synthesis by Self-assembly
Synthesis by Second Sphere
Coordination
Spectroscopy of Transition Metal Complexes
Electronic Absorption
Spectroscopy
Intensity of the Electronic
Transitions
Polarized Electronic Absorption
Spectroscopy
Charge Transfer Transitions
Selected Examples of d-d Electronic Absorption Spectra
Electronic Absorption Spectra of
Complexes of d1, d4,
d6, and d9
ions
Electronic Absorption Spectra of
d2, d3, d7,
and d8 ions
Electronic Absorption Spectra of
Complexes of d5 ions
Electron Paramagnetic Resonance Spectroscopy (EPR,ESR)
Basic Principles
CW-EPR
Multiple Resonance Spectra
Pulsed EPR
Spin-Hamiltonian and the
Interpretation of the Spectra
Zeeman Interaction
Electron-Electron (Fine) Interaction
Electron-Nucleus (Hyperfine)
Interaction
Selected Examples of EPR Spectra
Mössbauer Spectroscopy (MB)
Basic Principles and
Applications
NANOSYSTEMS
Introduction
Distinctive features of
nanosystems
General aspects of synthesis
Top-down approach
Bottom-up approach
Zero-dimensional nanosystems
Transition metal nanoparticles
Supported metal nanoparticles
Magnetic nanoparticles
Nanopowders
One-dimensional nanosystems
Nanowires and nanorods
Nanotubes
Two-dimensional nanosystems
Two-dimensional nanocrystals
Nanofilms
Nanomembranes
Two-dimensional arrays of 1-D
and 0-D systems
Three-dimensional nanosystems
Three-dimensional nanocrystals
Three-dimensional
superstructures
Nanoporous materials
Inorganic-organic hybrid
nanosystems
Nanosystems
in biochemistry
COMPUTATIONAL INORGANIC
CHEMISTRY
General Considerations
The Fundamental Relation between
Structure and Energy
Basic Computational Tools
The Molecular Mechanics Approach
Applications of the MM Method
and Problems with Transition
Metal Complexes
Foundations of the Quantum
Mechanical Approach
The Hartree-Fock Method
Basis Sets
Methods of the Electron
Correlation
Density Functional Theory (DFT)
QM Approach to Inorganic and
Transition Metal Compounds
QM/MM Methods
Most Popular Software Packages
Goals and Strategies of Computational Methods
Selection of the Starting Model
SCF and Structure Optimization
Procedures
Calculation of the Frequencies
Finding Transition Structures
Derivation of Molecular Properties
Chemical Bonding
Mulliken Population Analysis
Other Population Analysis
Schemes
Electrostatic Charges
Electric Multipole Moments
Electron Affinity and Ionization
Potential
Non Linear Optical Properties (NLO)
ESR Hyperfine Coupling Constants
NMR spectral Properties
Magnetic Properties
Types of Chemical Information from MO Calculations
Characterization of New Chemical
Species
Characterization of Species in
Solution
Analysis of Fluxionality
Chemical Reactivity
MO Architectures
The Role of Symmetry
Concepts of Perturbation Theory
Correlation or Walsh Diagrams
Interaction Diagrams and
Electron Counting Principles
Derivation of Fragment Molecular
Orbitals and Isolobal Analogy
Concept
Electron Counting and
Metal-Metal Bonding in
Transition Metal Clusters
Bonding between Metals and
Organic Polyenes
MO Undepinnings of Oxidative
Addition and Reductive
Elimination Processes
Energy Partitioning Analysis and Bond Dissociation Energy
Molecular Dynamics
The Car-Parrinello Method
Solids and Surfaces
Cluster Calculations
Band Structures
Surfaces and Chemisorption
Computer Programs for Extended
Structures
Analysis of the Electron Density (QTAIM Methods)
ENERGY AND INORGANIC CHEMISTRY
General background
Electronic excited states
Classification of excited states
in coordination complexes
Electron transfer processes
Energy transfer processes
Semiconductor materials
Molecular level energy conversion devices
Functions from
natural photosynthesis
Photoinduced
charge separation
Antenna effect
Supramolecular systems as photochemical molecular devices
Multielectron redox catalysts
Inorganic photovoltaics
Silicon solar cells
Thin film solar cells
Multijunction
and tandem cells
Solar concentrators
Photoelectrochemical solar cells
Sensitization
of wide band-gap semiconductors.
Solar cell
efficiency
Inorganic molecular sensitizers
Inorganic supramolecular
sensitizers
Photoelectrochemical hydrogen production
Photoassisted electrolysis
Tandem solar cells
Conclusion
ORGANIC AND BIO-MOLECULAR
CHEMISTRY
The Carbon
atom
The
carbon atom building blocks:
hybridizations
Single and multiple bonds
Structure of
organic compounds
Graphical representation of the
structures of organic compounds
Different shapes that a molecule
can assume: conformations
Asymmetry of some organic
molecules: chirality and
stereoisomers
Classification of organic
compounds, the functional groups
Alkanes
Alkenes
Alkynes
Aromatic hydrocarbons
Haloalkanes
Alcohols
Thiols
Ethers
Thioethers, disulfides and
trisulfides
Amines
Aldehydes and ketones
Carboxylic acids, esters and
amides
Attractive
interactions and molecular
recognition
Reactivity of
organic compounds
Molecules of
life
Carbohydrates
Amino acids, peptides and
proteins
Nucleic acids
Lipids
Fats, oils and waxes
Phospholipids and glycolipids
Terpenoids
Fat-soluble vitamins
Steroids
Organic
compounds in the market
Dyes
Compounds for health care
Compounds for food industry
Polymers
Isolation,
purification and analysis of
organic compounds
ORGANIC SUBSTANCES AND STRUCTURES NOMENCLATURE OF ORGANIC COMPOUNDS
Type(s) of Nomenclature Operations
Substitutive Operation
Replacement Operation
Additive Operation
Conjunctive Operation
Subtractive Operation
Ring Formation or Cleavage
General Rules
Capitalized and Italic
Numbers of Position
Punctuation
Parent Name
Alkanes
Unsaturated Alkanes
Substituent Prefix Names Derived
from Parent Hydrides
Functional Groups
Specific Classes of Compounds
Organometallic Compounds
Halogen Compounds
Nitrogen Compounds
Amines and Imines
Amides and Imides
Nitrile, Isocyanide and their
Derivatives
Nitro and Nitroso Compounds
Azo, azoxy, diazo, and related
compounds
Azides
Hydroxy Compounds and Analogues
Alcohols and Phenols
Substituent Prefixes Derived
from Alcohols, Phenols, and
their Analogues
Salts
Ethers
Cyclic Ethers
Aldehydes
Ketones
Ketenes
Acetals, Hemiacetals, Acylals,
and their Analogues
Nitrogenous Derivatives of
Carbonyl Compounds
Acids and Derivatives
Numbering of some Heterocyclic Rings
Numbering of Multiple Ring Systems
Name Construction
Rules
Examples
STEREOCHEMISTRY
Symmetry
Molecular models and symmetry
evaluation
Symmetry elements and symmetry
operations
Point groups
Chirality
Pairwise relationships between
isomeric molecules
Topicity relationships among
atoms and groups of atoms in
molecules
Chirotopicity
Stereogenicity
On
the distinction between
chirality and stereogenicity
Conformation
and configuration
Conformation
Configuration
Some considerations on the use
of the terms conformation and
configuration
Configurational descriptors
Dependence of
the properties of chiral
molecules on the enantiomeric
compositio | 
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