Hexa-peri-benzocoronene with two extra K-regions in an ortho-configuration.

ABSTRACT: There are three possible isomers for hexa-peri-hexabenzocoronene (HBC) with two extra K-regions, but only two of them have been reported, namely with the meta- and para-configurations. Herein, we describe the synthesis of HBC 4 with two extra K-regions in the ortho-configuration, forming a longer zigzag edge compared with the other two isomers. The structure of 4 was validated by laser desorption/ionization time-of-flight mass analysis and nuclear magnetic resonance spectra, as well as Raman and infrared spectroscopies supported by density functional theory calculations. The optical properties of 4 were investigated by UV/vis absorption and ultrafast transient absorption spectroscopy. Together with the analysis of aromaticity, the influence

SUBMITTER: Dumslaff T 

PROVIDER: S-EPMC8163021 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature