Structural relationship between photophysical data of 1,3,5-trisubstituted oligoaryleneethynylene benzene star-shaped molecules and number of carbon atoms

Abstract

A series of star-shaped molecules have been prepared by different methods. These molecules present an important electronic delocalisation between the attractive central ring, i.e. benzene and the three ends π-electron donor groups. These interesting molecules are currently considered because of their wide potential applications. Some of them can act as discotic liquid crystals (DLCs). The 1,3,5-benzene core acts as an effective π-electron center to conjugate with the oligoaryleneethynylene groups of the 1,3,5-trisubstituted oligoaryleneethynylene benzene star-shaped molecules. Graph theory is an exploration of techniques in discrete mathematics and its results can be applied in various fields of science. Several concepts of graph theory have been found to be useful tools in both QSAR and QSPR. This theory provides many different methods of characterising chemical structures numerically. In this study, we utilised the number of carbon atoms as a useful structural character (Cn ) for relating structure to photophysical properties of the star-shaped molecules 1–19. The interesting results obtained here present the good correlation between the index of Cn , the number of carbon atoms in each of the star-shaped molecular structures that are indicated here, with their photophysical properties. Some of the photophysical data that were communicated in the literature are: quantum yield (Φ f ), fluorescence emission maximum FEM (λ em) and absorbance maximum wavelength AMWL (λ abs). The interesting results of the relationship between ‘Cn ’ and the photophysical data of these star-shaped molecules are presented.