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Molecular Spectroscopy

Electron Spectrosopies (ETS, DEAS)

Alberto Modelli

A complete picture of the electronic structure requires the knowledge of both the filled and the empty levels, equally important from the thoretical and the reactivity points of view. ETS is one of the most suitable means for measuring the energies of formation of gas-phase temporary anion states. DEAS reveals the presence of dissociative decay channels and the negative fragments produced. Our ETS apparatus is one of the few existing in the world.

Sito web: https://site.unibo.it/modelli/

 

Rotational spectroscopy in the millimetre and sub-millimetre wave regions

Claudio Degli Esposti, Luca Dore, Cristina Puzzarini

Rotational spectroscopy is the high-resolution technique most suitable for the study of structure and dynamics of molecular species in the gas phase. It can be successfully applied to investigate species which are present in natural gaseous systems, such as the Earth’s atmosphere and interstellar molecular clouds. The research activity of the group is mainly focused on the study of molecules which have astrophysical or atmospheric interest, whose spectra are recorded in the millimetre and sub-millimetre wave region (65 GHz - 1.6 THz) with very high resolution and frequency accuracy, using also the Lamb-dip technique. This can be done not only for normally stable molecules, but also for short-lived species (radicals, ions, carbon chains) which can be produced by means of an electric discharge or by pyrolysis of stable precursors in a flowing system. The spectroscopic parameters which can be obtained from the analysis of the transition frequencies and from the line-shape analysis are useful to improve some common database (like HITRAN or JPL catalogue) used by a large number of scientists all over the world. Furthermore, experimental measurements are supported by high-level ab initio calculations.

Web site: http://www.ciam.unibo.it/spetmw

 

Free Jet Molecular Spectroscopy

Sonia Melandri, Assimo Maris, Luca Evangelisti

The group's research activity concerns the study of the properties of molecules and weakly-bond molecular complexes, such as structure, conformation, tautomerism, and the intra-inter-molecular interactions that characterize them, using the supersonic jet cooled rotational spectroscopy technique. Moreover, the group designs, develops and assemble unique instruments (sometimes prototypes) in Italy. In the group several analytical strategies (i.e. semirigid and coupled hamiltonians) and modeling (flexible models, ab initio mechanics or DFT and electrostatic models) are also implemented.

Web Site: https://site.unibo.it/freejet