Download Chemistry

UNIVERSITY OF MILANO-BICOCCA
A.Y. 2007/2008
Chemical Sciences and Technologies - Courses
Code
576011
Title of the course
Advanced physical chemistry ( first module)
Credits
4
Field
CHIM/02
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Bonati Laura
Programme
Molecular Quantum Chemistry: Mathematical background: linear algebra, eigenfunctions and
operators, notations.
Group theory and molecular symmetry. Review of the main principles of quantum mechanics.
Solutions to the Schrödinger equation for many-electron systems: the variation method and the
perturbation theory.
Electron spin and the antisimmetry principle. Molecular electronic structure: the Born-Oppenheimer
approximation;
the Molecular Orbital theory; the Valence Bond theory.
The Hartree-Fock method for MO-LCAO calculations.
Example calculations of molecular electronic structure for homo- and hetero-nuclear diatomic
molecules and for polatomic molecules.
Code
576012
Title of the course
Advanced physical chemistry (2nd module)
Credits
4
Field
CHIM/02
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Narducci Dario
Programme
Molecular Quantum Chemistry: Mathematical background: linear algebra, eigenfunctions and
operators, notations.
Group theory and molecular symmetry. Review of the main principles of quantum mechanics.
Solutions to the Schrödinger equation for many-electron systems: the variation method and the
perturbation theory.
Electron spin and the antisimmetry principle. Molecular electronic structure: the Born-Oppenheimer
approximation;
the Molecular Orbital theory; the Valence Bond theory. The Hartree-Fock method for MO-LCAO
calculations.
Example calculations of molecular electronic structure for homo- and hetero-nuclear diatomic
molecules and for polyatomic molecules.
Pag. 1/8
Code
576003
Title of the course
Analytical instrumental chemistry
Credits
4
Field
CHIM/01
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Peri Francesco
Programme
IR, UV, VIS, Raman spectroscopy, Mass spectrometry. 1H-NMR spectroscopy: Multiple order
spectra.
Fourier transform spectroscopy. 13C-NMR spectroscopy. Bidimensional spectroscopy. Heteronuclei.
Bandwidth and dynamic processes. Atomic spectroscopy. Potentiometry. Coulumbometry.
Voltammetry. X- rays spectroscopy. Electronic microscopy. Radiochemical methods.
Biosensors and bioanalytical chemistry. Capillary electrophoresis.
Hyphenated techniques in chromatography: HRGC-MS; HPLC-MS; HRGC-IR, ICP-MS.
This course includes laboratory experiments.
Code
576006
Title of the course
Biochemistry
Credits
4
Field
BIO/10
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Parenti Paolo
Programme
The cell. Biomolecules and macromolecules. Nucleic acids. Amino acids and peptide group. Protein
structure and function.
Enzyme catalysis and kinetics. Enzyme assay. The metabolism: general aspects and regulation.
Structure and biochemical role of ATP. Glycolysis; Krebs cycle; glyoxylate pathway; pentose
phosphate pathway.
Electrochemical potential, electron transfer, ATP synthesis, and oxygen consumption.
Lipids: fatty acids and cholesterol. Catabolism of triacylgycerols and fatty acids. Ketone bodies.
Biosynthesis of fatty acids in animals. Gluconeogenesis. Photosynthesis: light reactions and
synthesis of carbohydrate from CO2 and H2O. Photorespiration. Nitrogen fixation.
Amino acids degradation and urea cycle.
Pag. 2/8
Code
576004
Title of the course
Chemistry of macromolecules
Credits
4
Field
CHIM/06
Year of course
1
Semester
n.d.
Assesment
method
Scritto e Orale congiunti; Voto finale
Lecturer
Sozzani Piero ernesto
Programme
Molecular-mass distribution function and macromolecular stereochemistry.
Stepwise polymerization. Molecular mass as a function of conversion and stoichiometry.
The normal distribution according to Flory. Cross-linking and gelation. Synthesis and properties.
Chain polymerization: Chemistry of radical polymerization. Mayo diagram and chain-transfer.
Reaction kinetics and thermodynamics. Copolymerization diagrams and microstructure analysis.
Living anionic polymerization.
Coordination polymerization: heterogeneous Ziegler-Natta catalysis and homogeneous metallocene
catalysis.
Molecula- mass determination: Viscometry, size-exclusion chromatography and light-scattering.
Code
576002
Title of the course
Classical and Modern Physics
Credits
8
Field
FIS/01
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Sassi Giandomenico
Programme
Electric and magnetic fields. The laws of induction. The Maxwell equations. Waves in free space.
Field energy and field momentum. Motion of charges in electric and magnetic fields. Hall effect.
Elements of geometrical optics. Huygens principle. Interference and diffraction. Polarization.
The radiation of energy. The law of Stefan-Boltzmann. Doppler effect. Planck's theory of cavity
radiation.
Planck's postulate and its implications. The photoelectric effect.
Einstein's quantum theory of the photoelectric effect. The Compton effect.
The dual nature of electromagnetic radiation. X-Rays production. Pair production and pair
annihilation.
de Broglie's postulate. Davisson-Germer experiment. Bragg reflections. Complementary principle.
The uncertainty principle. Sommerfeld's model.
Schroedinger's theory of quantum mechanics: plausibility arguments,The Schroedinger equation,
Born's interpretation of the wave function, expectation values, solution of the Schroedinger equation,
time-independent Schroedinger equation, eigenfunctions, energy quantization.
Solutions of time-independent Schroedinger's equations: step potential, barrier potential, tunnel
effect.
One-electron atoms: Schroedinger's equation for one-electron atom, separation of variables, solution
of the equations, eigenvalues, degeneracy, expectation values.
Pag. 3/8
Code
576009
Title of the course
Inorganic and metallorganic chemistry (2nd module)
Credits
4
Field
CHIM/03
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Morazzoni Franca
Programme
The course will deal with the group theory application in order to describe structure and bond
properties of organometallic compounds.
The bond models of “ligand field” and of “angular overlap” will be employed in order to classify the
coordination bon according to the metallic element
(main group element, early/late transition metal, oxidation state) and the ligand type (donor/acceptor,
s/p).
The reactivity of the ligands will be related to the catalytic properties of complexes and to their model
role in bioinorganic systems.
Electronic energies will be described through spectroscopic and spectromagnetic investigations.
Code
576008
Title of the course
Inorganic and metallorganic chemistry (first module)
Credits
4
Field
CHIM/03
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Della pergola Roberto
Programme
Molecular Quantum Chemistry: Mathematical background: linear algebra, eigenfunctions and
operators, notations.
Group theory and molecular symmetry. Review of the main principles of quantum mechanics.
Solutions to the Schrödinger equation for many-electron systems: the variation method and the
perturbation theory.
Electron spin and the antisimmetry principle. Molecular electronic structure: the Born-Oppenheimer
approximation;
the Molecular Orbital theory; the Valence Bond theory. The Hartree-Fock method for MO-LCAO
calculations.
Example calculations of molecular electronic structure for homo- and hetero-nuclear diatomic
molecules and for polyatomic molecules.
Pag. 4/8
Code
576013
Title of the course
Laboratory of advanced physical chemistry
Credits
4
Field
CHIM/02
Year of course
1
Semester
n.d.
Assesment
method
Scritto e Orale congiunti; Voto finale
Lecturer
Binetti Simona olga
Programme
Different experiments and data elaborations will be carried out on the following arguments:
-determination of bond length and force constants of molecules by Infrared and UV- visible
spectroscopy
-analysis of emission spectra to determine electronics transitions of molecules and solids
- use of solid electrolytes for the determination of the Gibbs Energy of metal oxides
-characterization of mechanical mixture of metals and metals oxides by X-Ray Powder
Diffractometry
Code
576010
Title of the course
Laboratory of inorganic and metallorganic Chemistry
Credits
4
Field
CHIM/03
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Della pergola Roberto
Programme
Laboratory experiments will be performed in order to exemplifie different aspects of inorganic
chemistry, such as
isomerism (bonding, optical, geometrical), reactivity of hoctahedral, square planar and tetrahedrical
complexes
(substitution, addition, elimination, redox reactions) formation of M-C and M-H bonds, application of
organometallic
compounds in homogeneous catalysis, uses of molecular precursors for preparation of inorganic
materials,
optical and magnetic properties, spectroscopic methods of characterization
(UV-vis, vibrational spectroscopy, NMR, ESR).
Code
576001
Title of the course
Mathematics
Credits
8
Field
MAT/05
Year of course
1
Semester
n.d.
Assesment
method
Scritto e Orale congiunti; Voto finale
Lecturer
Lorenzoni Paolo
Programme
Partial derivatives and differentials: the gradient vector.
Maximum and minimum values. Lagrange multipliers.
Pag. 5/8
Vectorsand the geometry of space: dot and cross product; equations of lineas and planes.
Linear tansformations and matrices. Determinants.
Eigenvalues e autovettori. Differential equations: separable equations, exponential growth and
decay.
The logistic equation. Harmonic oscillator. Multiple and surface integrals.
Vector calculus: line integrals, exact differentials. Curl and Divergence. Complex analysis: power
series.
Taylor and di McLaurin's series. Fourier and Laplace transforms.
Code
576005
Title of the course
Organic chemistry III
Credits
4
Field
CHIM/06
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Rindone Bruno
Programme
Localized and delocalized chemical bond. Hydrogen bonds. Addition compounds. Acids and bases.
Configurational analysis. Conformational analysis.
Reactive intermediates: carbenium ions, carbanions, carbon radicals, carbenes, nitrenes.
What is the reaction mechanism, and how to study reaction mechanisms.
The effect of chemical structure on reactivity. Free energy relationships.
Nucleophilic and electrophilic aliphatic substitution. Aromatic electrophilic substitution.
Addition and elimination reactions. Oxidations and reductions. Molecular rearrangements.
Photochemical reactions. Some laboratory experiments will be performed.
Code
576007
Title of the course
Organic syntetic methodologies
Credits
4
Field
CHIM/06
Year of course
1
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Nicotra Francesco
Programme
Methods of carbon-carbon single bond formation. Methods of carbon-carbon double bond formation.
Oxidation methods. Reduction methods. Reduction methods.
Methods of carbon-heteroatom bond formation.
Retrosynthetic strategies.
Main methods of asymmetric induction.
Laboratory experimentation of a multistep synthesis.
Pag. 6/8
Code
A5760005
Title of the course
Computational Chemistry and Laboratory
Credits
8
Field
CHIM/02, CHIM/03
Year of course
2
Semester
n.d.
Assesment
method
Scritto e orale separati; Voto finale
Lecturer
Pacchioni Gianfranco
Programme
MODULO I
Schrödinger equation for molecular systems and basic approximations. MO ab initio methods.
The Hartree Fock (HF method. Basis set functions; Roothaan equations.
Limits of the HF method; correlation energy. Electron density function and derived properties.
Definition and analysis of the conformational Potential Energy Surface (PES). Vibrational analysis.
Themochemical analysis. Molecular Mechanics (MM) method.
Molecular simulation methods: Monte Carlo and Molecular Dynamics (DM) methods.
Computational laboratory. HF-SCF calculation of: wave function, molecular properties and
conformational PES.
Conformational analysis by MM e DM methods.
MODULO II
Variational and perturbational principles. Methods for the calculation of correlation energy,
Configuration interaction (CI) truncated to single (CIS) and double excitations (CISD), MCSCF and
CASSCF,
Coupled Cluster techniques, perturbational Moller-Plesset method to order n (MPn).
Values and drawback of the methods for the calculation of the correlation energy. Density Functional
Theory;
Kohn-Sham equation, exchange and correlation functionals, hybrid functionals.
Values and drawback of DFT. Analysis of molecular properties; perturbative methods, derivative
techniques,
Coupled-Perturbed HF, Time-Dependent (TD) DFT.
Practical assignments. Evaluation of the interaction energy of He2 dimer at HF, CI and CC levels of
theory.
Analysis of the rotational barrier around the C=C bond in ethylene at CASSCF level.
Study of the reaction mechanism of the cyanamide → carbodiimide conversion.
Study of the vibrational and electronic spectra of Cr(CO)6 and quantification of d → backdonation
by means of the Natural Bond Orbital theory.
Study of the interaction between small molecules and oxides surface.
Code
A5760006
Title of the course
Spectroscopic identification of organic compounds
Credits
4
Field
CHIM/06
Year of course
2
Semester
n.d.
Assesment
method
Orale; Voto finale
Lecturer
Abbotto Alessandro
Programme
Theory of NMR. 1H and 13C NMR. Chemical shift, integration, splitting pattern, coupling constants.
Interpreting the NMR spectrum. Higher order spectra. NOE.
Pulse sequence tools. Some advanced techniques.
2D NMR. COSY, DEPT, INEPT. Instrumentation.
Pag. 7/8
Pag. 8/8