## 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
Aromaticity as a Quantitative Concept. 2. Sixteen familiar five- and six-membered monocyclic heterocycles
✍ Scribed by Prof. Dr. Alan R. Katritzky; Vladimir Feygelman; Prof. Dr. Giuseppe Musumarra; Dr. Piotr Barczynski; Prof. Dr. Miroslaw Szafran
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 839 KB
- Volume
- 332
- Category
- Article
- ISSN
- 1615-4150
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Restudy of an almost complete data set of 12 characteristics for 16 common heterocycles confirms the previous conclusion [1] of the independence of „classical”︁ and of „magnetic”︁ aromaticity. The scores for the individual heterocycles correlate well with their chemical structure.
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## 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
Adequate analyses of canonical molecular orbitals (CMOs) can provide rather detailed information on the importance of different σ-Fermi contact (FC) coupling pathways (FC term transmitted through the σ-skeleton). Knowledge of the spatial distribution of CMOs is obtained by expanding them in terms of