Conference paper

The Position Dependence of the SCF Screened Potential in Several Nonbenzenoid Hydrocarbons Containing a Four-Membered Ring

Hiroyuki Yamaguchi ; Contribution from the Department of Chemistry, Faculty of Science, Kumamoto University, Kumamoto 860, Japan
Kunihiko Ninomiya ; Contribution from the Department of Chemistry, Faculty of Science, Kumamoto University, Kumamoto 860, Japan
Masateru Ogata ; Contribution from the Department of Chemistry, Faculty of Science, Kumamoto University, Kumamoto 860, Japan

Abstract

The bond lengths and SCF screened potentials of bicyclo- .
[4.2.0]octa-1,3,5,7-tetraene (1), bicyclo[6.2.0]deca-1,3,5,7,9-pentane (2),
cyclobuta[l,2:3,4]dicyclopentene (3), cyclopenta[3,4]cyclobuta[l,2]cycloheptene
(4), benzo[3,4]cyclobuta[l,2]cyclooctene (5), cyclobuta[
1,2, :3,4Jdicycloheptene (6), and cyclobuta[l,2 :3,4]dicyclooctene (7)
were calculated by using the SCF screened potential MO CI method.
From the bond lengths and the characteristics of the screened
potentials, it is concluded that molecules 1, 2, 3, 4, 6, and 7 are
polyolefinic and molecule 5 has both aromatic and polyolefinic
characters.

Keywords

Hrčak ID:

194498

URI

https://hrcak.srce.hr/194498

Publication date:

25.1.1981.

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