Light-induced controlled chemistry of atmospheric complexes (LICCAC)
Main funder
Funder's project number: 332023
Funds granted by main funder (€)
- 405 809,00
Funding program
Project timetable
Project start date: 01/09/2020
Project end date: 31/08/2024
Summary
Hydrogen-bonded and other relatively weakly bound molecular complexes are frequently encountered in atmospheric chemistry, and are known to affect both chemical and photochemical processes. In such complexes, the electronic, vibrational and rotational levels are disturbed by the interaction between the subunits of the complex, leading to changes in the spectral and photochemical characteristics, as well as the reactivity of the complex components.
In this project we investigate chemically complex, atmospherically relevant systems containing both intra- and intermolecular hydrogen bonds, in order to gain insight into their structure and physico-chemical properties, including their chemical reactivity. The investigated systems include water complexes of carboxylic acids, polyfunctional hydroperoxides, as well as peroxy radicals and their complexes. In addition to using spectroscopic techniques to extract structural information, we will also use selective IR or visible light excitation to higher vibrational states, which via internal energy relaxation processes leads to controlled structural rearrangement, or novel chemistry not viable for isolated molecules.
This research project will advance our understanding of the diversity of the chemistry of interacting oxidized organic molecules (as well as water), and the ways that their chemistry can be controlled selectively by light in a low temperature solid medium. The fascination here is that it brings us a step closer to fully control a chemical reaction and to be able to study the processes step-by-step. Additionally, we will gain insight into the role that intermolecular interactions play in both air quality and climate change (via organic aerosol processes), as well as the economy of energy between atmospheric constituents.
In this project we investigate chemically complex, atmospherically relevant systems containing both intra- and intermolecular hydrogen bonds, in order to gain insight into their structure and physico-chemical properties, including their chemical reactivity. The investigated systems include water complexes of carboxylic acids, polyfunctional hydroperoxides, as well as peroxy radicals and their complexes. In addition to using spectroscopic techniques to extract structural information, we will also use selective IR or visible light excitation to higher vibrational states, which via internal energy relaxation processes leads to controlled structural rearrangement, or novel chemistry not viable for isolated molecules.
This research project will advance our understanding of the diversity of the chemistry of interacting oxidized organic molecules (as well as water), and the ways that their chemistry can be controlled selectively by light in a low temperature solid medium. The fascination here is that it brings us a step closer to fully control a chemical reaction and to be able to study the processes step-by-step. Additionally, we will gain insight into the role that intermolecular interactions play in both air quality and climate change (via organic aerosol processes), as well as the economy of energy between atmospheric constituents.
Principal Investigator
Other persons related to this project (JYU)
Primary responsible unit
Follow-up groups
Free keywords
Chemistry; atmospheric sciences; light-induced chemistry; hydrogen bond; molecular interactions; computational chemistry; theoretical chemistry
Related publications and other outputs
- Revisiting the vibrational spectrum of formic acid anhydride (2024) Myllys, Nanna; et al.; A1; OA
- Complexes of HXeY with HX (Y, X = F, Cl, Br, I) : Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis (2023) Dzięcioł, Bartosz; et al.; A1; OA
- Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix (2023) Ahokas, Jussi; et al.; A1; OA
- Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates (2023) Krupa, Justyna; et al.; A1; OA
- Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen (2022) Krupa, Justyna; et al.; A1; OA
- Molecular dynamics view on matrix isolation (2022) Järvinen, Teemu; G4; OA; 978-951-39-9356-6
- Structure and IR Spectroscopic Properties of HNCO Complexes with SO2 Isolated in Solid Argon (2021) Krupa, Justyna; et al.; A1; OA
- UV laser induced photolysis of glycolic acid isolated in argon matrices (2021) Krupa, Justy; et al.; A1; OA
