山口県立大学学術情報

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山口県立大学学術情報 Volume 14
published_at 2021-03-31

The Study of Y-aromaticity. Ⅳ.Tridentenes with irregular arm lengths

Y字芳香族性の研究 IV.枝の長さが不揃いなトリデンテン
fulltext
2.18 MB
05.gen_OHMAE.pdf
Descriptions
To increase the number of synthetic targets having Y-aromaticity, we proposed (n, l, m)-tridentenes, in which the lengths of the three linear conjugated systems, extending from the central atom of the Y-shaped structure of n-tridentene were made irregular. The calculation results obtained using the semiempirical molecular orbital method suggested the existence of a compound that is energetically stabilized and 43 compounds with expectable kinetic stability.
Creator Keywords
Y-aromaticity
Tridentene
HOMO-LUMO gap
MOPAC