The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Cross-Field Chemistry".
Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 14835
Special Issue Editors
Interests: quantum chemistry; infrared spectroscopy; rotational-vibrational spectroscopy; atmospheric chemistry; astrochemistry
Interests: molecular spectroscopy; high-resolution infrared and Raman spectra; spectrum simulations; tensorial formalism; atmospheric applications; (exo)planetary applications
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Composition changes of the Earth’s atmosphere, mainly due to various anthropogenic factors occurring in the last decades, are considered responsible for several adverse climate and environmental impacts. Since the industrial revolution, anthropogenic activities have exerted a profound impact on the atmospheric composition, both altering the mixing ratio of natural occurring gases and releasing synthetic hazardous chemicals. Climate change studies need the temporal trend of hazardous atmospheric pollutants of both greenhouse and ozone-depleting gases. For this purpose, remote sensing spectroscopic techniques are widely used to probe the atmosphere and retrieve the concentration profiles of a number of species. Besides environmental monitoring, the fate of the compounds released into the atmosphere needs to be precisely characterized in order to understand how rapidly these substances degrade, when and where they are destroyed, and whether the degradation products can lead to more climate forcing than the parent species.
Understanding all these aspects is far from a simple task, which, in order to be accomplished, requires the synergic interplay between spectroscopy experiments and accurate quantum chemical simulations. This Special Issue aims to collect both spectroscopic experimental investigations and theoretical simulations devoted to the characterization of molecules’ spectroscopic features for atmospheric monitoring, and the atmospheric degradation pathways.
Dr. Nicola Tasinato
Dr. Vincent Boudon
Guest Editors
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Keywords
- Molecular spectroscopy
- Quantum mechanical calculations
- Atmospheric reactivity
- Chemical kinetics
- Spectroscopic parameters
- Ozone-depleting substances
- Greenhouse gases
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