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Journal of the Mexican Chemical Society

Print version ISSN 1870-249X


HOPFL, Herbert; GOMEZ, Badhin  and  MARTINEZ-PALOU, Rafael. Microwave-assisted Synthesis, Crystal and Molecular Structure, and DFT Study of 1-(2-aminoethyl)-2-imidazolidinethione. J. Mex. Chem. Soc [online]. 2005, vol.49, n.4, pp.307-311. ISSN 1870-249X.

A fast microwave-assisted procedure for synthesizing 1-(2-aminoethyl)-2-imidazolidinethione (1) is described. The crystal and molecular structure was determined. The combination of an X-ray crystallographic study and theoretical calculations (DFT) provided insight into the understanding of the high performance of this compound as low toxicity corrosion inhibitor.

Keywords : imidazolidinethione; microwave; theoretical calculations; X ray crystallography.

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