Her research activity is focused on the modeling of molecules and molecular materials characterized by conjugated structures among which pi-conjugated oligomers and polymers, pi-conjugated diradicaloids, organic semiconductor materials, molecular aggregates.
Fabrizia Negri, Full Professor at the Department of Chemistry "Giacomo Ciamician" at the University of Bolonia (Italy), visited the Material Sciences Institute of Madrid (ICMM), CSIC, as part of the Internationalization program at the centre. She is a theorist, and expert on molecular physics chemistry, especially on inter-molecular interactions and intra-molecular properties that govern the structure and properties of molecular materials.
"Our target systems are organic chromophores for applications in electronics and optoelectronics", she explains on her group's webpage. Her research activity is focused on the modeling of molecules and molecular materials characterized by conjugated structures among which are pi-conjugated oligomers and polymers, pi-conjugated diradicaloids, organic semiconductor materials, and molecular aggregates. That's why she gave us the talk 'Modelling the influence of diradical character and aggregation on the optoelectronic properties of organic molecular materials'
As she explains, "Molecular materials are made by the assembly of specifically designed molecules to obtain bulk structures with desired solid-state properties, enabling the development of materials with tunable chemical and physical properties. These properties result from the interplay of intramolecular constituents and weak intermolecular interactions". In recent years Negri's work has contributed to developing models and to derive structure-property relationships governing the electronic, optical, and charge transport properties of organic molecular materials by combining computational studies of intra-molecular properties and inter-molecular interactions.
In her presentation, she summarized their most recent results in three areas: advancements in understanding optoelectronic properties of conjugated chromophores displaying diradical character, which are building blocks for promising functional materials; rationalization of the influence of intra- and intermolecular parameters governing charge transport in molecular materials, with specific attention to the ambipolar character of diradical organic semiconductors, and development and application of diabatization procedures for the analysis of exciton and excimer states in molecular aggregates to assess their J/H character and the role of charge-transfer states in photoinduced processes.
The expert has been invited by the ICMM's director, José Ángel Martín Gago. This is part of the internationalization program of the centre. "International scientific collaboration is critical for addressing society's worldwide concerns and positioning the CSIC as one of the most appealing organizations for performing science in Europe", says the CSIC's Multiannual Action Plan 2022-2025. With this general goal in mind, the main responsibility of the ICMM Internationalisation Commission is to generate "ideas that improve the ICMM's position on the international scene", adds Sonia López-Esteban, coordinator at the Internationalization Commission. In order to achieve this objective, two strategies have been devised: Encouraging the participation of ICMM researchers in international projects and attracting researchers and students from other countries to work at ICMM
In fact, this visit fits within the recently launched International Visits Program, whose aim is to encourage the internationalization of the activities of ICMM through the promotion of its relations with institutions from other countries. To this end, it is proposed to invite to visit ICMM -expenses paid- directors of centers, heads of R&D departments, or group leaders from, for instance, research organizations, universities, technology centers, companies, funding agencies, foundations, etc. The purpose of these visits is to establish the basis for future collaborations between ICMM and these organizations, enhancing the international positioning of ICMM.
