Theoretical study of the helical conformers and ECD spectra of 8-aminoquinoline polymers

In this study, the helical conformers and absorption spectra of three types of 8-aminoquinoline oligoamides were studied. The stable conformers of these oligoamides connected with chiral beta-pinene at their terminals were searched, and their dominant conformers and corresponding Boltzmann statistical weights were obtained. The excitation energy and oscillator strength of the dominant conformers were calculated, and the UV and electronic circular dichroism (ECD) spectra were also simulated. beta-pinene can form delocalized pi-bonds at the C-terminal, which results in a strong R band for CQ(n). Furthermore, the degree of polymerization also affected the strength of the absorption band for all the oligoamides.

Automated summary

This study investigates the helical conformers and absorption spectra of three types of 8-aminoquinoline oligoamides. The results reveal that the oligoamides connected with beta-pinene have stable conformers and the absorption band strength is influenced by the degree of polymerization.