HEIndividual fellowship2023–2024

NgCHEM · Noble-Gas Compounds meet X-ray Charge Density and High-Pressure Research

Horizon Europe — Marie Skłodowska-Curie Actions

Duration
2023-06-01 → 2024-05-31
EU contribution
€85,700
Participants
2
Scheme
HORIZON-TMA-MSCA-PF-EF

Lines connect the coordinator with its partners.

Results in brief

Noble-Gas Compounds meet X-ray Charge Density and High-Pressure Research

The project “Noble-Gas Compounds meet X-ray Charge Density and High-Pressure Research˝ addresses the need for more experimental studies in the field of noble-gas and fluorine chemistry, due to the decreasing number of active research groups in this field. By focusing on contemporary methods such as X-ray charge-density analysis and high-pressure studies, this research not only contributes to advancing the current state of knowledge but also serves to strengthen this specialized field of chemistry. The primary outcome of the project is the first systematic experimental charge-density study on noble-gas compounds, offering a detailed examination of their electronic structure and intermolecular interactions. This investigation addresses a shortcoming in the field, as most theoretical studies on noble-gas compounds lack experimental confirmation. In addition to studying the electronic structure and intermolecular interactions of noble-gas compounds, the project is also dedicated to discovering new chemical species and reactivity phenomena through synthetic research efforts. Typically, noble-gas atoms are bonded to fluorine atoms, with a smaller proportion of examples where they are bonded to other atoms, such as oxygen and nitrogen. This project aims to identify novel xenon–oxygen-bonded species and investigate oxygen-transfer reaction methodologies. By expanding the scope of noble-gas chemistry, we hope to uncover unique chemical species and reactions that will contribute to our understanding of this intriguing field. The high-pressure structural study was focused on compounds that are reactive and air sensitive, which is experimentally demanding area of research. The objective of this project was also to perform high-pressure structural studies of selected fluoride compounds in the GPa range. Through this research, the project aims to generate valuable results that will widen our understanding of chemistry under extreme pressure conditions.

Data: CORDIS, © European Union

Project objective

This project aims to study noble-gas compounds by X-ray charge-density analysis and explore the structural behavior of selected noble-gas species under high-pressure in GPa range. Experimental electron-density distribution of reactive fluorides is rarely studied and no experimental charge-density analysis on noble-gas compounds has been reported to this date. Moreover, there is a genuine interest in noble-gas chemistry under extreme conditions of high pressure. However, the vast majority of studies are computational predictions and experiment significantly lags behind the theory. The project results would constitute the first X-ray charge density analysis on noble-gas compounds. This would provide new insights into the chemical bonding of noble-gas compounds and nature of their intermolecular interactions. Moreover, diamond anvil cell experiments would significantly advance our understanding of the hitherto unknown high-pressure chemical and structural behavior of noble-gas compounds. An ambitious, but challenging, experimental charge-density analysis of noble-gas compound under high pressure in diamond anvil cell will also be undertaken. Special experimental methods and techniques will be employed for the synthesis and structural characterization of reactive and air-sensitive noble-gas compounds. The two-way transfer of knowledge and skills, therefore represents an important aspect of this project.

Original text from CORDIS.

Participants

  • INSTITUT JOZEF STEFAN · LjubljanaCoordinatorSlovenia
  • POLITECNICO DI MILANO · MilanoItaly

Links

Data: CORDIS, © European Union