Premium
An Experimental and Theoretical Study on Influence of H‐bonding on the Synthesized Azo Derivatives Structures
Author(s) -
Amiri Rahebeh,
Haghdadi Mina,
Golshani Ashkan,
Amiri Maryam Mohamadian,
Barikani Maryam
Publication year - 2013
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201200170
Subject(s) - chemistry , tautomer , regioselectivity , computational chemistry , fourier transform infrared spectroscopy , triphenylphosphine , proton nmr , carbon 13 nmr , density functional theory , photochemistry , organic chemistry , chemical engineering , catalysis , engineering
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, 1 H NMR, 13 C NMR and Mass 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.