Molecular Spectral Analysis and Ab Initio Calculations of bis(3-aminopyridinium) Tetrachlorocuprate (II), 3-Ammoniumpyridinium Tetrachlorocuprate (II), and bis(3-aminopyridinium) Hexachlorodicuprate (II)

• Published in: Spectroscopy letters Vol. 48; no. 10; pp. 705 - 711
• Main Author: Trendafilova, Elena N.
• Format: Journal Article
• Language: English
• Published: Taylor & Francis 26.11.2015
• Subjects: 3-aminopyridine salts; H-NMR data; quantum chemical calculations; solid-state linear-dichroic (IR-LD) spectral analysis; UV- and
• ISSN: 0038-7010; 1532-2289
• DOI: 10.1080/00387010.2014.922992

The aromatic character, distortion, and stabilization as a result of single and double protonation of 3-aminopyridine like three different complex salts were studied by infrared-, ultraviolet spectral analysis, proton nuclear magnetic resonance, and quantum chemical ab initio calculations. Linear-dichroic infrared spectroscopy was applied for identification of the infrared bands. The correlation structure-spectroscopic properties of the model systems are determined: bis(3-aminopyridinium) tetrachlorocuprate (II) salt, where the ring nitrogen atom participates in protonation; 3-ammoniumpyridinium tetrachlorocuprate (II) salt, where both nitrogen atoms are protonated; and a complex with copper (II) bis(3-aminopyridinium) hexachlorodicuprate (II), where the metal ion is coordinated through amino group.