Pollutants and greenhouse gases in the atmosphere - understanding gas-gas and gas-solid interactions towards a cleaner atmosphere

Project Information

ATMOS

Grant agreement ID: 872081

DOI 10.3030/872081

EC signature date 27 February 2020

Start date 1 April 2020

End date 31 January 2026

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost € 892 400,00

EU contribution € 892 400,00

Coordinated by

AGENCIA ESTATAL CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS
Spain

Deliverables

Documents, reports (3)

Kinetic studies

Kinetic studies of RO2 radicals with NOx, OH, HO2, and NO3 will be performed a flow tube reactor (with on-line spectroscopy instruments for real time measurement of free radicals, and high resolution mass spectroscopy/synchrotron radiation photoionization mass spectrometry for the monitoring of the reaction products and precursors).

Publication of spectroscopic-SETS

Publication of spectroscopic-SETS (in journal and/or conferences and/or databases)Publication of the excited electronic states of radicals-SET1Publication of the potential energy surfaces and couplings associated with the electronic states relevant for the processes and dynamical description of some of the photodissociation processes leading to intermediate pollutants. Identification of the relevant photodissociation mechanisms-SET 1

Collisional parameters

Collisional parameters of the CO2+CO2 system and prelimminary results corresponding to the N2+O2 system

Websites, patent fillings, videos etc. (2)

Report of the Networking and dissemination activities

Reports of the networking activities will be publihed in the web page. They will contain research work summaries, the index of activities and pictures (sessions and activities)

Report of the winter school

After finishing the ATMOS winter school, the leader of the Winter School (N.Komija), the leader of WP6 and the coordinator will write a report. It will be published in the consortium web page.

Publications

Peer reviewed articles (20)

The Formation of C 3 O 3 H 6 Structural Isomers in the Gas Phase through Barrierless Pathways: Formation and Spectroscopic Characterization of Methoxy Acetic Acid

Author(s): Victoria Gámez; María Luisa Senent
Published in: Astrophysical journal, Issue 1, 2021, ISSN 0004-637X
Publisher: University of Chicago Press
DOI: 10.3847/1538-4357/abecdf

Large Amplitude Motions of Pyruvic Acid (CH3-CO-COOH)

Author(s): Dalbouha, S; Senent. ML
Published in: Molecules, Vol 26, Iss 4269, Issue 1, 2021, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144269

A Spectroscopic Description of Asymmetric Isotopologues of CO2

Author(s): Marisol Bermúdez-Montaña, Marisol Rodríguez Arcos,Miguel Carvajal, Christian Ostertag-Henning, Renato Lemus
Published in: Journal of Physical Chemistry A, 2023, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.3c00890

An <i>ab initio</i> study of the photodissociation of CH₂I and CH₂I⁺

Author(s): A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Published in: Physical Chemistry Chemical Physics, Issue 6, 2023, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3cp01460f

Photodissociation of the CH2Br radical: A theoretical study

Author(s): F. Charfeddine, A. Zanchet, O. Yazidi, C. A. Cuevas, A. Saiz-Lopez, L. Bañares, A. García-Vela
Published in: Journal of Chemical Physics, Issue 1, 2024, Page(s) 074301, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0187546

Methanediol CH2(OH)2 and hydroxymethyl CH2OH+: key organicintermediates on the path to complex organic molecules

Author(s): Cristopher Heyser Valencia, Natalia Inostroza-Pino
Published in: Astronomy and astrophysics, Issue 6, 2022, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/202243520

Theoretical Spectroscopic Study of Isopropyl Alcohol (CH3-CHOH-CH3)

Author(s): Mohammed Salah, Khadija Marakchi, Najia Komiha, Maria Luisa Senent
Published in: Astrophysical Journal, 2024, ISSN 1538-4357
Publisher: American Astronomical Society
DOI: 10.3847/1538-4357/ad1fef

Excited state quantum phase transitions in the bending spectra of molecules

Author(s): Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Francisco Pérez-Bernal; Miguel Carvajal; Miguel Carvajal
Published in: Journal of Quantitative Spectroscopy and Radiative Transfer 261,107436, Issue 00224073, 2021, ISSN 0022-4073
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2020.107436

Observations and Chemical Modeling of the Isotopologues of Formaldehyde and the Cations of Formyl and Protonated Formaldehyde in the Hot Molecular Core G331.512–0.103

Author(s): Edgar Mendoza; Miguel Carvajal; Manuel Merello; Leonardo Bronfman; Heloisa M. Boechat-Roberty
Published in: Crossref, Issue 7, 2023, ISSN 1538-4357
Publisher: American Astronomical Society
DOI: 10.3847/1538-4357/ace048

Rovibrational Spectroscopy of Trans and Cis Conformers of 2-Furfural from High-Resolution Fourier Transform and QCL Infrared Measurements

Author(s): Sathapana Chawananon; Pierre Asselin; Jordan A. Claus; Manuel Goubet; Anthony Roucou; Robert Georges; Joanna Sobczuk; Colwyn Bracquart; Olivier Pirali; Arnaud Cuisset
Published in: Molecules; Volume 28; Issue 10; Pages: 4165, Issue 16, 2023, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules28104165

An <i>ab initio</i> study of the photodissociation of the vinyl radical

Author(s): A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Published in: Crossref, Issue 14639076, 2022, Page(s) 7387-7395, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cp00180b

Symmetries of the squeeze-driven Kerr oscillator

Author(s): Francesco Iachello; Rodrigo G Cortiñas; Francisco Pérez-Bernal; Lea F Santos
Published in: Crossref, Issue 12, 2023, ISSN 1751-8113
Publisher: Institute of Physics Publishing
DOI: 10.1088/1751-8121/ad09eb

Anharmonicity-induced excited-state quantum phase transition in the symmetric phase of the two-dimensional limit of the vibron model

Author(s): Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Miguel Carvajal
Published in: Physical Review A 105, 032215, Issue 24699926, 2022, Page(s) 032215, ISSN 2469-9926
Publisher: American Physical Society
DOI: 10.48550/arxiv.2106.11044

Millimeter-Wave Spectroscopy of Methylfuran Isomers: Localvs. Global Treatments of the Internal Rotation

Author(s): J. Bruckhuisen, S. Chawananon, I.Kleiner, A. Roucou, G. Dhont, C. Bracquart, P. Asselin, A.Cuisset
Published in: Molecules MDPI, Issue 1, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27113591

Algebraic vibrational description of the symmetric isotopologues of CO2: 13C16O2, 12C18O2 and 12C17O2

Author(s): M. Bermúdez-Montaña, M. Rodríguez-Arcos, M. Carvajal, C. Ostertag-Henning, R. Lemus
Published in: Chemical Physics 557, 111481, Issue 03010104, 2022, ISSN 0301-0104
Publisher: Elsevier BV
DOI: 10.1016/j.chemphys.2022.111481

Quantum fidelity susceptibility in excited state quantum phase transitions: application to the bending spectra of nonrigid molecules

Author(s): Jamil Khalouf-Rivera; Miguel Carvajal; Francisco Perez-Bernal
Published in: SciPost Physics, Vol 12, Iss 1, p 002 (2022), Issue 25424653, 2022, ISSN 2542-4653
Publisher: SciPost Foundation
DOI: 10.48550/arxiv.2102.12335

Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCH= CH2)

Author(s): ), I. Toumia, S. Dalbouha, M. Mogren Al-Mogren, O. Yazidia, N. Jaïdane, M. Carvajal, and M.L. Senent
Published in: Journal of Physical Chemistry A, Issue 10895639, 2022, Page(s) 7230-7240, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.2c05653

A High-level Ab Initio Study of the Destruction of Methanimine under UV Radiation

Author(s): A. Bouallagui; A. Zanchet; M. Mogren Al Mogren; L. Bañares; A. García-Vela
Published in: reponame:Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia, Issue 1, 2023, ISSN 0004-637X
Publisher: University of Chicago Press
DOI: 10.3847/1538-4357/acf311

The Role of Water in the Adsorption of Nitro-Organic Pollutants on Activated Carbon

Author(s): Celia Adjal; Vicente Timón; Nabila Guechtouli; Rahma Boussassi; Dalila Hammoutène; María Luisa Senent
Published in: Journal of physical chemistry A, Issue 4, 2023, Page(s) 8146−8158, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.3c03877

Utilisation of CO2 as “Structure Modifier” of Inorganic Solids

Author(s): M. J. Bennett,I. Dobson, D. M. Benoit, M. G. Francesconi
Published in: Chemistry A European Journal, 2021, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202103608

Other (1)

Theoretical spectroscopic study of acetyl (CH3CO), vinoxy (CH2COH), and 1-methylvinoxy (CH3COCH2) radicals. Barrierless formation processes of acetone in the gas phase

Author(s): H. El Hadki, V. Gámez, S. Dalbouha, K. Marakchi, O.K. Kabbaj, N. Komiha, M. Carvajal, and M.L. Senent.
Published in: Open Research Europe, 2022
Publisher: European Comission
DOI: 10.12688/openreseurope.14073.1