Témakiírások
Radicals of main group elements: computational studies
témakiírás címe
Radicals of main group elements: computational studies
témakiíró
témakiírás leírása
Main group radicals are usually extremely reactive, opening versatile possibilities for applications such as effective chemical synthesis, materials science or spin labeling. The stabilization of radicals with main group elements is highly challenging and thus very difficult to achieve (alike those of transition metals), which usually hinders their applications.
The main goal of this research is to study in a systematic manner the stability and reactivity of main group centered radicals, for which high quality computations will be performed. In this project the stability aspects of various radicals will be studied thoroughly, with special attention on tetrel, pnictogen and chalcogen centered ones (group 14, 15 and 16, respectively).The stability effects of several substituents will be screened to achieve reliable stability schemes,and the selection of state-of-the-art compuations is of high importance to warrant the reliability.
Importantly, with our international collaborators, experimental studies are also planned.Using the stability scales obtained in the project, new radicals tailored for applications will be accessible, enabling studying their properties in detail.
The main goal of this research is to study in a systematic manner the stability and reactivity of main group centered radicals, for which high quality computations will be performed. In this project the stability aspects of various radicals will be studied thoroughly, with special attention on tetrel, pnictogen and chalcogen centered ones (group 14, 15 and 16, respectively).The stability effects of several substituents will be screened to achieve reliable stability schemes,and the selection of state-of-the-art compuations is of high importance to warrant the reliability.
Importantly, with our international collaborators, experimental studies are also planned.Using the stability scales obtained in the project, new radicals tailored for applications will be accessible, enabling studying their properties in detail.
felvehető hallgatók száma
1 fő
helyszín
BME Szervetlen és Analitikai Kémia Tanszék
jelentkezési határidő
2025-12-07