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

Bojidarka Koleva; Rositsa Nikolova; Atanas Tchapkanov; Tsonko Kolev; Heike Mayer-Figge; Michael Spiteller; William Sheldrick

doi:10.2478/v10026-009-0033-y

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

Green Sciences

Volume 11 (2009): Issue 3 (September 2009)

By: Bojidarka Koleva, Rositsa Nikolova, Atanas Tchapkanov, Tsonko Kolev, Heike Mayer-Figge, Michael Spiteller and William Sheldrick

Open Access

|Oct 2009

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 N_py protonation on the optical and magnetic properties of a 4-acetaminopyridine is discussed.

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Articles in this issue

DOI: https://doi.org/10.2478/v10026-009-0033-y | Journal eISSN: 3072-0389

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Language: English

Page range: 35 - 40

Published on: Oct 9, 2009

Published by: West Pomeranian University of Technology, Szczecin

In partnership with: Paradigm Publishing Services

Publication frequency: Volume open

Keywords:

4-Acetaminopyridine,

protonated form,

crystal structure,

solid-state linear polarized IRspectroscopy,

UV-spectroscopy,

quantum chemical calculations,

¹H- and ¹³C NMR,

ESI MS,

TGA and DSC

Related subjects:

Industrial chemistry,

Biotechnology,

Chemical engineering,

Process engineering

© 2009 Bojidarka Koleva, Rositsa Nikolova, Atanas Tchapkanov, Tsonko Kolev, Heike Mayer-Figge, Michael Spiteller, William Sheldrick, published by West Pomeranian University of Technology, Szczecin
This work is licensed under the Creative Commons License.

Volume 11 (2009): Issue 3 (September 2009)