Original scientific paper

Partly Olefinic Reference Structure Defined to Evaluate Bond Resonance Energy and the Ring Current It Would Sustain

Jun-ichi Aihara ; Department of Chemistry, Faculty of Science, Shizuoka University, Oya, Shizuoka 422–8529, Japan
Rika Sekine ; Department of Chemistry, Faculty of Science, Shizuoka University, Oya, Shizuoka 422–8529, Japan
Sumio Oe ; Center for Instrumental Analysis, Shizuoka University, Oya, Shizuoka 422-8529, Japan

Abstract

The concept of bond resonance energy (BRE) is useful for estimating the degree of kinetic stability for a variety of polycyclic π-systems. In evaluating the BRE for a given π bond in a polycyclic π-system, the corresponding partly olefinic reference structure has been defined, in which cyclic conjugation via the π bond is forbidden. The ring-current pattern expected for such a hypothetical π-system were estimated graph-theoretically. Such a ring-current pattern proved very useful to visualizing and characterizing the mode of cyclic conjugation in a partly olefinic π-system.

Keywords

bond resonance energy; ring current; partly olefinic
π -system; π
-system

Hrčak ID:

102727

URI

https://hrcak.srce.hr/102727

Publication date:

31.5.2004.

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