webinar

Molecules Webinar | The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes

Name: Molecules Webinar | The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes
Start: 2021-11-08T14:00:00
End: 2021-11-08T14:00:00

08 November 2021

14:00 (CET)

Online

Welcome from
the chair

22nd Molecules Webinar

The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes

The development of tools for the accurate measurement of molecular concentrations in the atmosphere through satellites, balloons and ground-based instruments is obviously critical and extremely timely regarding the climate-change question. Atmospheric and climatic models heavily rely on the availability of accurate and complete molecular line lists with quantitative data on line positions, intensities and broadening coefficients. Radiative transfer calculations of the root of climate evolution calculations absolutely need such data. The interpretation of measurements from today’s spectrometers requires models with an increasing precision for a large number of chemical species.

Thus, high-resolution laboratory measurements as well as detailed and accurate models for these data are very important and represent an important research topic. From the modelling side, it is necessary to develop specific theoretical models adapted to the various molecular symmetries. Quantum chemistry calculations are also of great help since they have reached a large degree of sophistication and produce results that compare very well to the experimental accuracy. They also allow for calculations of atmospheric molecular reactions. Finally, it is necessary to make the resulting molecular data available through public databases.

This webinar will cover all these aspects thanks to three renowned specialists. Dr. Nicola Tasinato will present the “Synergism between Experimental Spectroscopy and Quantum Chemical Calculations for Atmospheric Chemistry”, Dr. Iouli Gordon will present “HITRAN2020: The Database of Molecular Spectroscopic Parameters (Fingerprints) Of Major Absorbers of Electromagnetic Radiation in Planetary Atmospheres” and Dr. Ha Tran will discuss “Collisional effects on the line shape and high-precision remote sensing”.

Date: 8 November 2021

Time: 2:00pm CET | 8:00am EST | 9:00pm CST Asia

Webinar ID: 868 8741 7787

Webinar Secretariat: molecules.webinar@mdpi.com

Meet Our Speakers

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Dr. Vincent Boudon

Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS-University Bourgogne Franche-Comté, France;
Dr. Vincent Boudon is a senior CNRS researcher at the la ICB Laboratory in Dijon, France. He works on theoretical high-resolution molecular spectroscopy. His research focuses on the analysis and modelling of infrared and Raman spectra of molecules with high symmetry for application in the remote-sensing detection of species with atmospheric (e.g., greenhouse gases such as CH4, CF4, SF6) or planetological interest (e.g., CH4, GeH4, C2H4). He also works on formal theoretical developments for such molecules and in the development of associated software. His results are disseminated to the community through public databases (HITRAN, GEISA and the VAMDC consortium). He is the organizer and chair of the Colloquium on High-Resolution Molecular Spectroscopy (HRMS), which takes place every four years in Dijon (2011, 2015, 2019, 2023). He also dedicates time to the popular sciences through public conferences, exhibitions and the organization of various public events about science and especially astronomy. He has co-authored 164 research papers (h-index 34).

Sponsors and Partners

Organizer

Webinar Content

On Tuesday 8 November 2021, MDPI and the Journal Molecules organized the 22^nd webinar, entitled "The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes".

The introduction was held by the Chair of the webinar, Dr. Vincent Boudon from the Laboratoire Interdisciplinaire Carnot de Bourgogne, at the University Bourgogne Franche-Comté in France. His research focuses on the analysis and modelling of infrared and Raman spectra of molecules with high symmetry for application in the remote-sensing detection of species with atmospheric (e.g., greenhouse gases such as CH4, CF4, SF6) or planetological interest (e.g., CH4, GeH4, C2H4).

The first speaker to kick off this webinar was Dr. Nicola Tasinato from the Scuola Normale Superiore in Pisa, Italy. He spoke about the synergism between experimental spectroscopy and quantum chemical calculations for atmospheric chemistry. His research activity focuses on the following topics: (i) the spectroscopic characterization of gas-phase atmospheric and astrophysical molecular species through an integrated experimental and computational approach; (ii) the investigation of molecular adsorption on surfaces through quantum chemical calculations coupled with infrared spectroscopy, in order to obtain information on the adsorbate-substrate interactions as the first step involved in the photocatalytic degradation of atmospheric pollutants or in the synthesis of interstellar complex organic molecules; (iii) the theoretical modelling of the reaction pathways leading to either the degradation of pollutants in the atmosphere or the increase in molecular complexity in space.

The second presentation with the title "HITRAN2020: The Database of Molecular Spectroscopic Parameters (Fingerprints) Of Major Absorbers of Electromagnetic Radiation in Planetary Atmospheres" was held by Dr. Iouli Gordon from Division of Atomic and Molecular Physics, Center for Astrophysics | Harvard & Smithsonian, USA. His research interests focus on the laboratory and theoretical molecular spectroscopy of atmospheric and astrophysical interest, the use of available spectroscopic information to construct databases, and the development of tools for enhancing the data accessibility and effectiveness of scientific collaborations.

Dr. Ha Tran from the Laboratoire Météorologie Dynamique from the CNRS-Sorbone University in Pars, France gave the last presentation entitled “Collisional Effects on the Line Shape and High-Precision Remote Sensing”. She has been studying the spectral shape of absorption spectra for many years, together with its implications in atmospheric remote sensing.

The presentations were followed by a Q&A and a discussion, moderated by the Chair. The webinar was offered via Zoom and required registration to attend. The full recording can be found here on Sciforum website. In order to stay updated on the next webinars on Molecules, be sure to sign up for our newsletter by clicking on “Subscribe” at the top of the page.

Relevant Special Issue

The Interplay between Spectroscopy and Quantum Chemistry for Environment: From Atmospheric Monitoring to Climate Changes
Guest Editors: Dr. Nicola Tasinato & Dr. Vincent Boudon
Deadline for manuscript submissions: 31 December 2021