The discovery of the Universe passes through the knowledge of the molecules that populate those places. Most of our understanding about the composition of the interstellar medium and planetary atmospheres comes from spectroscopic observations. Rotational and vibrational spectroscopies have proven to be the methods of choice for exploring the chemical composition of a variety of astronomical environments. To fully exploit the spectroscopic observational data, rotational and vibrational spectroscopic properties need to be determined from the analysis of the spectra recorded in the laboratory. Yet, the task of inverting the spectra observables to extract spectroscopic data remains time-consuming and prone to errors. For this reason, spectral analysis is strongly speeded-up by the use of suitable computer-programs that assist in all the phases of the process.<br/>This contribution presents the new developments in the Virtual Multifrequency Spectrometer (VMS-Draw), a new computational tool, purposely tailored for computational spectroscopy [1], which is able to support the analysis of laboratory spectra, thus integrating measurements and computational simulations. In fact, VMS-Draw provides an integrated environment for direct comparison between different types of theoretical and experimental spectra, allowing a number of manipulations, such as shifting and rescaling. Simulated spectra can be combined in a weighted mixture for better matching experimental conditions. The newborn rotational module, VMS-Rot, offers a powerful suite of tools for guiding in the interpretation and understanding of rotational spectra, from the assignment of the observed transitions to a set of quantum numbers and their fitting within a given model Hamiltonian, up to the prediction and simulation of the whole spectrum. On these grounds, VMS-Draw appears a useful tool for synergic computational-experimental investigations of astrochemical species.

New virtual tools for astrochemistry

254th National Meeting (2017)

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