Novel 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene ligand: Synthesis, X-ray crystallographic studies, spectroscopic characterization and DFT calculations

In the present work, a combined theoretical and experimental investigation on the properties of 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene is reported. The optimized geometry was calculated by B3LYP method using 6-311++G(2d,p) as a large basis set. The FT-IR spectrum was calculated at this level...

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Bibliographic Details
Main Authors: Fatemeh Valinia, Nasrin Shojaei, Parisa Ojaghloo
Format: Article
Language:English
Published: Iranian Chemical Science and Technologies Association 2019-04-01
Series:Chemical Review and Letters
Subjects:
nmr
aim
nbo
Online Access:http://www.chemrevlett.com/article_85596_c6cec5fbf9e1a0cc647339e638d1aa53.pdf