The development of new functionalized materials is one of the key goals in science and technology. Since the discovery of fullerenes, carbon nanotubes and graphene, carbon-based material have attracted highest interest because of the versatility and the outstanding electronic and mechanical properties. In addition to these now well-known compounds, another class of carbon material has been found recently in the form of carbon nanodots which offer new alternatives to the previously mentioned structures. Key to a successful systematic development of new compounds is the possibility of chemical functionalization by means of covalent and non-covalent derivatization.<br/>In the present talk, two aspects of the wide field of applications indicated above are discussed. One is the doping of polycyclic aromatic hydrocarbons (PAHs) by nitrogen taking the important class of zethrenes into consideration. Drastic enhancements and reductions, respectively, of the unpaired density, measuring the biradicaloid character of the compound, are observed depending on the positions where the carbon atoms are replaced by nitrogen atoms. These data allow a tailored development of PAHs with a certain desired degree of open shell character.<br/>In the second part of the talk, a first approach to the luminescence properties of carbon nanodots is made. These properties may lead to interesting applications for bioimaging because of their low toxicity and excellent biocompatibility. Excimer formation and charge transfer in these nanodots is modeled by means of stacked dimers of pyrene and coronene and circular surroundings by benzene rings.<br/>

Carbon-based nanomaterials: From graphene sheets to carbon nanodots, and high-level theoretical studies

2019 Spring National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.