Donor-Acceptor Conjugated Macrocycles with Polyradical Character and Global Aromaticity.

ABSTRACT: Polyradical character and global aromaticity are fundamental concepts that govern the rational design of cyclic conjugated macromolecules for optoelectronic applications. Here, we report donor-acceptor (D-A) conjugated macromolecules with and without π-spacer derivatives to tune the antiferromagnetic couplings between the unpaired electrons. The macromolecules without π-spacer have a closed-shell electronic configuration and show global nonaromatic character in the singlet and lowest triplet states. However, the derivatives with π-spacer develop a nearly pure open-shell diradical and a very high polyradical character, not reported for D-A type macromolecules. Furthermore, the π-spacer derivatives display global nonaromaticity in the singlet ground state, but global aromaticity in the lowes

SUBMITTER: Sabuj MA 

PROVIDER: S-EPMC7596265 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature