Crystal and molecular structure of 2-aminopyridinium- 4-hydroxybenzenosulfonate-IR and Raman spectra, DFT calculations and physicochemical properties

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Crystal and molecular structure of 2-aminopyridinium- 4-hydroxybenzenosulfonate-IR and Raman spectra, DFT calculations and physicochemical properties

Lorenc, J.; Bryndal, I.; Marchewka, M.; Sasiadek, W.; Lis, T.; Hanuza, J.

Journal of Raman spectroscopy, 20/May , Letnik: 39, Številka: 5

Journal Article

A new organic–organic salt, 2‐aminopyridinium‐4‐hydroxybenzenosulfonate, has been synthesised and characterised by means of FT‐IR and FT‐Raman spectroscopies, differential scanning calorimetry (DSC) and single crystal X‐ray crystallography. Its vibrational spectra have been discussed on the basis of quantum chemical density functional theory (DFT) calculations using the B3LYP/6‐31G(d,p) approach. The role of the intermolecular interactions in this crystal is analysed. The NHċċċO interactions between the hydrogen atoms of the pyridinium cation and oxygen atoms of hydroxybenzenosulfonate anion built the supramolecular arrangement in three‐dimensional space. Copyright © 2008 John Wiley & Sons, Ltd.

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Leto	Faktor vpliva		Izdaja		Kategorija		Razvrstitev
Leto	JCR	SNIP	JCR	SNIP	JCR	SNIP	JCR	SNIP

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