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Three‐Dimensional Intramolecular Exchange Interaction in a Curved and Nonalternant π‐Conjugated System: Corannulene with Two Phenoxyl Radicals
Author(s) -
Ueda Akira,
Nishida Shinsuke,
Fukui Kozo,
Ise Tomoaki,
Shiomi Daisuke,
Sato Kazunobu,
Takui Takeji,
Nakasuji Kazuhiro,
Morita Yasushi
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200906666
Subject(s) - diradical , intramolecular force , corannulene , delocalized electron , conjugated system , chemistry , antiaromaticity , photochemistry , spin (aerodynamics) , chemical physics , crystallography , stereochemistry , aromaticity , polymer , singlet state , molecule , atomic physics , excited state , physics , organic chemistry , thermodynamics
A neutral diradical based on corannulene with curved and nonalternant π conjugation has been synthesized and isolated as air‐stable crystals. Sizable spin delocalization and strong intramolecular exchange interaction in the intrinsically three‐dimensional π network (see picture), as well as significant diradical contributions in the ground state, were experimentally disclosed.