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• W2314196664 endingPage "11757" @default.
• W2314196664 startingPage "11750" @default.
• W2314196664 abstract "The relationship between the structures and electronic ground state properties of non-Kekulé-type N-substituted m-phenylenes was studied utilizing density functional theory (DFT), with the aim of determining the factors that lead to ground state triplet diradicals. At B3LYP/6-311G(d,p)//B3LYP/6-311G(d,p) we identified octahydropyridoquinoline with an exceptionally large singlet−triplet energy separation of +27.9 kcal mol−1, in favor of the triplet. The high-spin structures can readily be obtained by interruption of the full cyclic π-delocalization that avoids cross-conjugation of the nitrogen radical centers. Introduction of additional heteroatoms, on the other hand, preferentially stabilizes the singlet zwitterionic resonance contributors in these systems. The identified diradicals show strong ferromagnetic exchange interactions between two radical centers." @default.
• W2314196664 created "2016-06-24" @default.
• W2314196664 creator A5027412086 @default.
• W2314196664 creator A5066817668 @default.
• W2314196664 date "2009-07-20" @default.
• W2314196664 modified "2023-09-25" @default.
• W2314196664 title "Non-Kekulé <i>N</i>-Substituted <i>m</i>-Phenylenes: <i>N</i>-Centered Diradicals versus Zwitterions" @default.
• W2314196664 cites W1670197727 @default.
• W2314196664 cites W1964297219 @default.
• W2314196664 cites W1965841665 @default.
• W2314196664 cites W1967934605 @default.
• W2314196664 cites W1969627147 @default.
• W2314196664 cites W1980814432 @default.
• W2314196664 cites W1983298950 @default.
• W2314196664 cites W1983710245 @default.
• W2314196664 cites W1987379575 @default.
• W2314196664 cites W1989060531 @default.
• W2314196664 cites W1994772716 @default.
• W2314196664 cites W1997098051 @default.
• W2314196664 cites W1998703017 @default.
• W2314196664 cites W1999696866 @default.
• W2314196664 cites W2005719010 @default.
• W2314196664 cites W2012113633 @default.
• W2314196664 cites W2013572520 @default.
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• W2314196664 cites W2016981866 @default.
• W2314196664 cites W2018009218 @default.
• W2314196664 cites W2019470804 @default.
• W2314196664 cites W2019779639 @default.
• W2314196664 cites W2019961860 @default.
• W2314196664 cites W2023728939 @default.
• W2314196664 cites W2027720462 @default.
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• W2314196664 cites W2029533367 @default.
• W2314196664 cites W2032789607 @default.
• W2314196664 cites W2034039486 @default.
• W2314196664 cites W2040346177 @default.
• W2314196664 cites W2047026656 @default.
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• W2314196664 cites W2070486301 @default.
• W2314196664 cites W2070832308 @default.
• W2314196664 cites W2075910616 @default.
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• W2314196664 cites W2161560766 @default.
• W2314196664 cites W2162891203 @default.
• W2314196664 cites W2166337065 @default.
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• W2314196664 doi "https://doi.org/10.1021/jp9028672" @default.
• W2314196664 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19618943" @default.
• W2314196664 hasPublicationYear "2009" @default.
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