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Aromaticity as a Quantitative Concept. 3. Benzo-fused five- and six-membered heterocycles

✍ Scribed by Prof. Dr. Alan R. Katritzky; Vladimir Feygelman; Prof. Dr. Giuseppe Musumarra; Prof. Dr. Piotr Barczynski; Prof. Dr. Miroslaw Szafran


Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
710 KB
Volume
332
Category
Article
ISSN
1615-4150

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✦ Synopsis


Abstract

A rather complete data set for 12 characteristics of 18 common benzo‐fused heterocycles yields two significant principal components. The loadings of the characteristics show a close correlation with those found for the same characteristics of monocyclic heterocycles. The scores for each bicycle are also closely related to those for the corresponding monocycle. The method demonstrates considerable predictive power.


πŸ“œ SIMILAR VOLUMES


Aromaticity as a Quantitative Concept. 2
✍ Prof. Dr. Alan R. Katritzky; Vladimir Feygelman; Prof. Dr. Giuseppe Musumarra; D πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 839 KB

## Abstract Restudy of an almost complete data set of 12 characteristics for 16 common heterocycles confirms the previous conclusion [1] of the independence of β€žclassical”︁ and of β€žmagnetic”︁ aromaticity. The scores for the individual heterocycles correlate well with their chemical structure.

Aromaticity as a Quantitative Concept. 4
✍ Prof. Dr. Alan R. Katritzky; Dr. Piotr Barczynski πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 586 KB

## Abstract An additional set of 23 monoheterocycles was subjected to AM1 calculations, and the characteristics thus determined, together with available experimental data, treated by PC analysis. Utilizing characteristic loadings previously determined for other monoheterocycles, scores for the 23 m