title: Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally π-Extended Zethrene with Enhanced Diradical Character.
abstract: Although the ground-state and physical properties of zethrene and recently invented 1,2:8,9-dibenzozethrene have been well studied, the other dibenzozethrene isomer, i.e., 5,6:12,13-dibenzozethrene, remained unexplored. A short synthetic route to a kinetically blocked stable 5,6:12,13-dibenzozethrene derivative 5 is presented. The ground state is found to be open-shell singlet experimentally, and the theoretical y0 was enhanced to 0.414, which corroborates nicely with the experimental and theoretical singlet-triplet energy gap.
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, Singapore 117543.
authors.forename: Priya
authors.initials: P
authors.lastname: Yadav
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, Singapore 117543.
authors.forename: Soumyajit
authors.initials: S
authors.lastname: Das
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, Singapore 117543.
authors.forename: Hoa
authors.initials: H
authors.lastname: Phan
authors.affiliation: Department of Materials Science & Engineering, National University of Singapore , Singapore 119260.
authors.forename: Tun Seng
authors.initials: TS
authors.lastname: Herng
authors.affiliation: Department of Materials Science & Engineering, National University of Singapore , Singapore 119260.
authors.forename: Jun
authors.initials: J
authors.lastname: Ding
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, Singapore 117543.|Institute of Materials Research and Engineering, A*STAR , 2 Fusionopolis Way, Innovis, No. 08-03, Singapore 117602.
authors.forename: Jishan
authors.initials: J
authors.lastname: Wu