Please use this identifier to cite or link to this item: https://doi.org/10.1021/acs.orglett.6b01196
Title: Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally pi-Extended Zethrene with Enhanced Diradical Character
Authors: Yadav, Priya 
Das, Soumyajit 
Phan, Hoa 
Herng, Tun Seng 
Ding, Jun 
Wu, Jishan 
Keywords: Science & Technology
Physical Sciences
Chemistry, Organic
Chemistry
OPEN-SHELL
GROUND-STATES
CLOSED-SHELL
FUSION MODE
HYDROCARBON
PERYLENE)QUINODIMETHANES
QUINODIMETHANES
OCTAZETHRENE
REACTIVITY
MOLECULES
Issue Date: 17-Jun-2016
Publisher: AMER CHEMICAL SOC
Citation: Yadav, Priya, Das, Soumyajit, Phan, Hoa, Herng, Tun Seng, Ding, Jun, Wu, Jishan (2016-06-17). Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally pi-Extended Zethrene with Enhanced Diradical Character. ORGANIC LETTERS 18 (12) : 2886-2889. ScholarBank@NUS Repository. https://doi.org/10.1021/acs.orglett.6b01196
Abstract: © 2016 American Chemical Society. 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.
Source Title: ORGANIC LETTERS
URI: https://scholarbank.nus.edu.sg/handle/10635/167650
ISSN: 1523-7060
1523-7052
DOI: 10.1021/acs.orglett.6b01196
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