Stereochemical stability and absolute configuration of atropisomeric thioalkyl-porphyrazines by dynamic NMR and HPLC studies and computational analysis of HPLC-ECD recorded spectra
The conformational and stereodynamic properties of a pyrene-substituted thioethyl-porphyrazine (PzPy) promising as dye for organic optoelectronic applications and light harvesting systems, have been investigated by Density Functional Theory computations and variable temperature NMR and HPLC. In PzPy rotation around the pyrene-macrocycle bond is hindered and then the molecule displays atropisomerism existing as a couple of enantiomers, thus representing the first chiral alkyl-porphyrazine reported in the literature.