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Topological resonance furans

HMO calculations, based on localized polyenes instead of isolated alkenes, can account for the heats of atomization of furan (41.64 observed, 41.69 eV) and of dibenzofuran (109.09 observed, 108.92 eV). For resonance energies (quoted as resonance energy per electron, REPE) they give furan, 0.007 oxepin, -0.006 benzo[6]furan, 0.036 benzo[c]furan, 0.002 and dibenzofuran, 0.047 /3 (72T3657). That furan emerges as hardly more aromatic than a diene while pyrrole (REPE 0.039/3) is clearly aromatic is in line with other results, including those from MINDO/3 and topological methods (see Section... [Pg.534]

See other pages where Topological resonance furans is mentioned: [Pg.637]    [Pg.139]    [Pg.191]    [Pg.535]    [Pg.637]    [Pg.191]    [Pg.535]    [Pg.126]    [Pg.139]    [Pg.637]    [Pg.176]    [Pg.637]    [Pg.534]    [Pg.591]    [Pg.593]    [Pg.534]    [Pg.591]    [Pg.593]   
See also in sourсe #XX -- [ Pg.3 , Pg.73 ]



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Furan, resonance

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