From Open‐Shell Singlet Diradicaloid to Closed‐Shell Global Antiaromatic Macrocycles

• Published in: Angewandte Chemie International Edition Vol. 57; no. 24; pp. 7166 - 7170
• Main Authors: Li, Guangwu, Gopalakrishna, Tullimilli Y., Phan, Hoa, Herng, Tun Seng, Ding, Jun, Wu, Jishan
• Format: Journal Article
• Language: English
• Published: WEINHEIM Wiley 11.06.2018; Wiley Subscription Services, Inc
• Edition: International ed. in English
• Subjects: Antiferromagnetism; aromaticity; Chemistry; Chemistry, Multidisciplinary; Crystallography; Electron spin; Electronic properties; Energy gap; macrocycles; Magnetic measurement; Magnetic resonance spectroscopy; NMR spectroscopy; Physical Sciences; radicals; Science & Technology; Spin-spin coupling; Trimers; π-conjugated systems; KEKULENES; radicals; macrocycles; RING CURRENTS; conjugated systems; spin-spin coupling; ANISOTROPY; HYDROCARBON; aromaticity; CHARACTERS; MOLECULES; π-conjugated systems

A dithieno[a,h]‐s‐indacene‐ (DTI‐) based diradicaloid DTI‐2Br was synthesized and its open‐shell singlet diradical character was validated by magnetic measurements. On the other hand, its macrocyclic trimer DTI‐MC3 and tetramer DTI‐MC4 turned out to be closed‐shell compounds with global antiaromatic...