We have theoretically investigated a possible spin ground-state in the heteroatom-eaten π conjugated system. Deficient π electrons in this system function as a spin hole for the ground spin-configuration. The various spin ground-states, such as singlet (lower) and triplet (higher) ones are theoretically predicted. Furthermore, these π spin holes have a potential to induce a singlet-triplet instability.
ASJC Scopus subject areas
- Physics and Astronomy(all)