Learning objectives
Acquisition of the basic concepts to study time-dependent molecular processes. Linear radiation-matter interaction treated in the perturbation theory and linear response theory. The principles of linear optical spectroscopy (elettronic and vibrationa). The basic principles of NMR.
Prerequisites
To fruitfully access the course the student must master the basic concepts of quantum mechanics and its application to chemistry.
Course unit content
A few very basic concepts:
* the electromagnetic spectrum
* measuring an absorption spectrum: absorbance
* Fourier transforms
Elettromagnetic radiation:
* classic and quantistic description
* radiation-matter interaction
Time-dependent perturbation theory
* general discussion
* absorbance and emission of monochromatic radiation
* electric dipole approximation
* absorbance, spontaneous and stimulated emission
Linear response theory
* responnce and susceptibility functions
* steady-state and time-resolved experiments
* density matrix
* active and passive processes, Kramers-Krönig relations
* complex dielectric constant: refractive index and extinction coefficient
* microscopic formulation of teh response and susceptibility functions
* relaxation and bandshapes
Optical spectroscopy
* the adiabatic approximation
* selection rules
* vibrational spectroscopy: normal coordinates, internal coordinates, group frequencies, FT-IR and Raman spectroscopies (basic)
* electronic spectroscopy: absorption, Frank-Condon principle and band-shapes, fluorescence, Kasha rule, fluorescence excitation, phosphorescence. Organic chromophores, solvatochromy.
* Optical spectroscopy with polarized light: polarizability tensor. ORD and CD spectra
Magnetic spettroscopy
* the basic NMR and ESR experiments
* solution NMR: chemical shift and J-coupling
* FT-NMR: basic experiment and some more refined measurements
* systems of many non-interacting spins, density matrices and product operators
* the spin-echo sequence
* systems of many interacting spins, density matrices and product operators
* the spin-echo sequence for interacting spins
* an introduction to 2D- NMR
Full programme
A few very basic concepts:
* the electromagnetic spectrum
* measuring an absorption spectrum: absorbance
* Fourier transforms
Elettromagnetic radiation:
* classic and quantistic description
* radiation-matter interaction
Time-dependent perturbation theory
* general discussion
* absorbance and emission of monochromatic radiation
* electric dipole approximation
* absorbance, spontaneous and stimulated emission
Linear response theory
* responce and susceptibility functions: Steady-state and time-resolved experiments
* density matrix: pure and mixed states, populations and coherences, thermodynamic equilibrium.
* density matrix: temporal evolution
* Steady-state experiments: active and passive processes, Kramers-Krönig relations
* complex dielectric constant: refractive index and extinction coefficient (advanced topic)
* microscopic formulation of the response and susceptibility functions (advanced topic)
* reduced density matrices: relaxation and bandshapes
Optical spectroscopy
* the adiabatic approximation
* selection rules
* vibrational spectroscopy: normal coordinates, internal coordinates, group frequencies, FT-IR and Raman spectroscopies (hints)
* electronic spectroscopy: absorption, Frank-Condon principle and band-shapes, fluorescence, Kasha rule, fluorescence excitation, phosphorescence. Organic chromophores, solvatochromy.
* Optical spectroscopy with polarized light: polarizability tensor. ORD and CD spectra (advanced topic)
Magnetic spectroscopy
* the basic NMR and ESR experiments
* solution NMR: chemical shift and J-coupling
* FT-NMR: basic experiment and some more refined measurements
* systems of many non-interacting spins, density matrices and product operators
* systems of many interacting spins, density matrices and product operators (advanced topic)
* an introduction to 2D- NMR (advanced topic)
Bibliography
G.C.Schatz, M.A.Ratner, Quantum Mechanics in Chemistry, Dover (2002)
J. McHale Molecular Spectroscopy
S. Fischer, P. Scherer, Theoretical Molecular Biophysics, Springer (2010)
M.H. Levitt, Spin Dynamics, Wiley
lecture notes available to the students on specific topics
Teaching methods
class teaching
Assessment methods and criteria
final oral exam
Other information
Lecture notes are available to the students.
The teacher is available upon request for discussions and clarifications about specific topics.
