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.
Rashidi Ranjbar, P., Mohajeri, A., & Ghiaci, M. (2001). Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies. Iranian Journal of Chemistry and Chemical Engineering, 20(2), 102-105. doi: 10.30492/ijcce.2001.9977
MLA
Parviz Rashidi Ranjbar; Ali Mohajeri; Mehran Ghiaci. "Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies". Iranian Journal of Chemistry and Chemical Engineering, 20, 2, 2001, 102-105. doi: 10.30492/ijcce.2001.9977
HARVARD
Rashidi Ranjbar, P., Mohajeri, A., Ghiaci, M. (2001). 'Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies', Iranian Journal of Chemistry and Chemical Engineering, 20(2), pp. 102-105. doi: 10.30492/ijcce.2001.9977
VANCOUVER
Rashidi Ranjbar, P., Mohajeri, A., Ghiaci, M. Transannular Interaction in N-Aryl-5-Azocanones, A Semiempirical Quantum Mechanics and UV Spectroscopy Studies. Iranian Journal of Chemistry and Chemical Engineering, 2001; 20(2): 102-105. doi: 10.30492/ijcce.2001.9977