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Tag Archives: DFT calculation

A vibrational spectroscopy and DFT study of 2-butyl-3-benzofuranyl 4-[2-(diethylamino)-ethoxy]-3,5-diiodophenyl ketone hydrochloride, amiodarone

Guillermo Diaz Fleming*, Ursula Martinez-Ortiz, Nicole Varas-Aquin Molecular and Atomic Spectroscopy Laboratory, Department of Chemistry, Faculty of Sciences, University of Playa Ancha, Valparaiso, Casilla 34-V, Chile. A B S T R A C T Infrared and Raman spectra of 2-butyl-3-benzofuranyl 4-[2-(diethylamino)-ethoxy]-3,5-diiodophenyl ketone hydrochloride, amiodarone, have been recorded. Density functional theory, DFT, with the B3LYP functional was used for the optimization ... Read More »

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