<abstract xml:lang="en" xmlns="http://www.w3.org/1999/xhtml"><p>4-Acetaminopyridine dihydrate and its protonated form, stabilized as the hydrochloride salt have been synthesized and spectroscopic elucidated in solution and in the solid-state by means of the inear-polarized solid state IR-spectroscopy (IR-LD), UV-spectroscopy, TGA, DSC, and the positive and negative ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data and the electronic spectra. The spectroscopic and theoretical data are compared with the structure of the first compound obtained by single crystal X-ray diffraction. The effect of N<sub>py</sub> protonation on the optical and magnetic properties of a 4-acetaminopyridine is discussed.</p></abstract>

4-Acetaminopyridine dihydrate and its protonated form, stabilized as the hydrochloride salt have been synthesized and spectroscopic elucidated in solution and in the solid-state by means of the inear-polarized solid state IR-spectroscopy (IR-LD), UV-spectroscopy, TGA, DSC, and the positive and negative ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data and the electronic spectra. The spectroscopic and theoretical data are compared with the structure of the first compound obtained by single crystal X-ray diffraction. The effect of Npy protonation on the optical and magnetic properties of a 4-acetaminopyridine is discussed.

Crystal structure and spectroscopic properties of 4-acetaminopyridine and its protonated form

Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, 44780 Bochum, Germany

Department of Organic Chemistry, University of Sofia "St. Kl. Ohridsky", Sofia 1164, Bulgaria

Department of Chemistry, South-West University, Blagoevgrad 1341, Bulgaria

Institut für Umweltforschung, Universität Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Germany

Polish Journal of Chemical Technology

4-Acetaminopyridine dihydrate and its protonated form, stabilized as the hydrochloride salt have been synthesized and spectroscopic elucidated in solution and...

Crystal structure and spectroscopic properties of 4-acetaminopyridine and its protonated form

Publicado en línea: 09 oct 2009

Páginas: 35 - 40

DOI: https://doi.org/10.2478/v10026-009-0033-y

Palabras clave
4-Acetaminopyridine, protonated form, crystal structure, solid-state linear polarized IRspectroscopy, UV-spectroscopy, quantum chemical calculations, H- and C NMR, ESI MS, TGA and DSC

This content is open access.

Crystal structure and spectroscopic properties of 4-acetaminopyridine and its protonated form

Publicado en línea: 09 oct 2009

Páginas: 35 - 40

DOI: https://doi.org/10.2478/v10026-009-0033-y

Palabras clave4-Acetaminopyridine, protonated form, crystal structure, solid-state linear polarized IRspectroscopy, UV-spectroscopy, quantum chemical calculations, H- and C NMR, ESI MS, TGA and DSC

This content is open access.

Palabras clave
4-Acetaminopyridine, protonated form, crystal structure, solid-state linear polarized IRspectroscopy, UV-spectroscopy, quantum chemical calculations, H- and C NMR, ESI MS, TGA and DSC