We have reported a simple and efficient reaction for the synthesis of some new functionalized azo structures which were prepared by electron deficient acetylenic compounds in the presence of triphenylphosphine. The characterization of the synthesized azo compounds has been determined by FTIR, UV-Vis, 1H NMR, 13C NMR andMass spectroscopic techniques. The influence of H-bonding on the products has been shown by different experimental analysis. Also, the regioselectivity of the reaction, tautomerization equilibrium and the stability of products was investigated using DFT calculations at the B3LYP/6-31G level of theory.

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Keywords DFT calculation, Intramolecular hydrogen bonding, Triphenylphosphine
Persistent URL dx.doi.org/10.1002/jccs.201200170
Journal Journal of the Chinese Chemical Society
Amiri, R. (Rahebeh), Haghdadi, M. (Mina), Golshani, A, Amiri, M.M. (Maryam Mohamadian), & Barikani, M. (Maryam). (2013). An experimental and theoretical study on influence of H-bonding on the synthesized azo derivatives structures. Journal of the Chinese Chemical Society, 60(1), 45–52. doi:10.1002/jccs.201200170