Title of article
Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies
Author/Authors
Rashidi Ranjbar, Parviz Department of Chemistry - Faculty of Science - Tehran University - Tehran , Mohajeri, Ali Department of Chemistry - Faculty of Science - Tehran University - Tehran , Ghiaci, Mehran College of Chemistry - Isfahan University of Technology - Isfahan
Pages
4
From page
102
To page
105
Abstract
The ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional N-phenyl-5-azocanones. The AM1 method is the best with the order of reliability being Am1, PM3, MNDO and MINDO/3. AM1 calculations were then carried out for quantification of transannular interaction. The n(o) ionization potential has been used for this purpose. A linear correlation is found between the n(o) ionization potential and the Hammett substituent constant (s). The UV spectroscopy was used to study the transannular bond formation N-aryl-5-azocanone derivatives.
Keywords
Azocanone , Semiempirical quantum mechanics , Tautomerization , Eight-membered rings , Transannular interaction
Journal title
Astroparticle Physics
Serial Year
2001
Record number
2429037
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