Spectroscopy and Computational Chemistry Group

Research topics

Investigations by FT-IR Spectroscopic Techniques and Spectroscopic Data Analysis

This research activity is carried out by FT-IR instrumentations coupled to different spectroscopic accessories like ATR, DRIFT (equipped with both environmental chamber and temperature control), and multi-pass cells (with pressure controls). The analysis allows to obtain qualitative and quantitative data about the chemical composition of the sample, the structure and the energies of the molecules, the impacts of chemical compounds on the glo- bal warming, the line-profile parameters, and to model the adsorption processes on different surfaces.In the Cultural Heritage field, historical and modern materials (pigments, mortars, bricks) are studied, as well as other phenomena of interest such as the natural or accelerated aging of different materials (wood, paper, parchment, papyrus).

Spectroscopic and Computational Investigations on Molecules of Atmospherical and Astrochemical Interest

This research activity is focused on the accurate characterization of molecules of atmospherical and/or of astro-chemical interest by coupling spectroscopic measurements (carried out by employing instrumentations working in different regions of the electromagnetic spectrum) to state-of-the-art computational simulations for the prediction and the modeling of their properties.

Computational Procedures for the Modeling of Molecules, Clusters of Chemical and Biological Interest, and Periodic Systems

This research activity is focused on the study and the characterization of molecules, clusters of chemical and biological Interest, and periodic systems, and their simulations by using several computational procedures and employing super- computers  facilities (CINECA, etc.).