✦ LIBER ✦
Average deviation from ideal bond order as a measure for aromaticity. AMI commuted aromatic properties of five-membered C4H4X ring systems
✍ Scribed by Branko S. Jursic
- Publisher
- Journal of Heterocyclic Chemistry
- Year
- 1997
- Tongue
- English
- Weight
- 230 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0022-152X
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✦ Synopsis
Abstract
Average bond order deviation from that in an ideal aromatic system was proposed as a parameter for evaluation of aromaticity in general. The validity of this approach was examined by studying a series of aromatic five‐membered heterocycles. The geometries and bond orders were computed with AM1 semiem‐pirical method. The usefulness of AM1 semiempirical method for computation of these parameters was also discussed.