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Separation of the energetic and geometric contributions to the aromaticity of π-electron carbocyclics. Part V. Analysis of the aromatic character of aza-analogues of benzenoid hydrocarbons

✍ Scribed by Michal Cyrański; Tadeusz Marek Krygowski

Publisher: Elsevier Science
Year: 1996
Tongue: French
Weight: 287 KB
Volume: 52
Category: Article
ISSN: 0040-4020
DOI: 10.1016/0040-4020(96)00840-x

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Crystal and molecular structures of the 4-(4'-N, N-dimethylaminophanyl)-3,5-dimethyl-t,7diphenyl-bis-pyrazolo[3,4-b;4',3'-e]pyridine (1) and 3,5-dimethyl-1,4,7-triphenyl-bifepyrazolo[3,4b;4',3'-e]pyridine (If) are reported, with R = 0.0505 and 0.0538, ~ly. Application of the HOMA model ~ to molecul