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Separation of the energetic and geometric contributions to aromaticity. Part VIII. Changes in aromaticity and the evidence for the multi-dimensionality of the aromatic character of benzene rings in para- and meta-cyclophanes

✍ Scribed by Michal K. Cyranski; Tadeusz M. Krygowski; Clive W. Bird


Publisher
Elsevier Science
Year
1998
Tongue
French
Weight
475 KB
Volume
54
Category
Article
ISSN
0040-4020

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πŸ“œ SIMILAR VOLUMES


Separation of the energetic and geometri
✍ MichaΕ‚K. CyraΕ„ski; Tadeusz M. Krygowski πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 French βš– 299 KB

Abstraa Eight aromaticity indices were estimated by the application of the bond lengths of 18 benzene tings taken from 10 benzenoid hydrocarbons (benzene, naphthalene, anthraccnc, tetracene, phenanthrenc, clh-ysene, triphenylene, pyrene, perylene and coroncne) computed by ab initio at RHF 6-31G\*\*

Separation of the energetic and geometri
✍ Tadeusz M. Krygowski; Michal K. CyraΕ„ski; Kazuhide Nakata; Mizue Fujio; Yuho Tsu πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 French βš– 703 KB

Ab initio 6-3 IG\* optimised geometries of naphthalene, anthracene, phenanthrene, pyrene and all their CH: + mono-substituted derivatives have been examined in respect to estimate the changes of their aromatic character due to these kinds of substitution. CH2 Γ· substitnent attached to aromatic hydro

Separation of the energetic and geometri
✍ Tadeusz M. Krygowski; Romana Anulewicz; Michal K. CyraΕ„ski; Agnieszka Puchala; D πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 French βš– 312 KB

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