Topological symmetry control in spin density distribution: spin chemistry of phenalenyl-based neutral monoradical systems |
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| Authors: | Morita Yasushi Kawai Junya Fukui Kozo Nakazawa Shigeaki Sato Kazunobu Shiomi Daisuke Takui Takeji Nakasuji Kazuhiro |
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| Institution: | Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043, Japan. morita@chem.sci.osaka-u.ac.jp |
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| Abstract: | structure: see text] Topological symmetry-based extensions of a pi-conjugation network in an odd alternant phenalenyl radical have enabled us to control the spin density distribution systematically. ESR/ENDOR and NICS studies on the topological isomers of oxophenalenoxyl have revealed that the unpaired electron tends to localize in the antiaromatic ring systems. |
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