Growth, structure, spectral and optical properties of semiorganic crystal: Pyridine-1-ium-2-carboxylatehydrogenbromide

•PHBr single crystals were grown using slow evaporation technique.•XRD analysis confirms that it crystallizes in triclinic system.•Vibrational bands were analysed by FTIR spectra.•NMR studies confirm the charge polarization.•The optical band gap of the PHBr has been determined as 2.49 eV.

Pyridine-1-ium-2-carboxylatehydrogenbromide (PHBr) crystal was grown from aqueous solution by slow evaporation method. The calculated lattice parameters of single crystal X-ray diffraction have shown the triclinic crystal system with centrosymmetric space group of Pī. The interaction of functional groups and their importance in their application was identified by FTIR spectral analysis. The material is optically transparent and the grown crystal is having lower cut off wavelength as 294 nm, thereby confirming the enhancement of non-linear optical (NLO) property and optical band gap of the PHBr have been determined as 2.49 eV by UV–Vis–NIR studies. The 1H NMR spectrum confirms the molecular structure and the presence of different kinds of protons.

Graphical abstractSemi-organic nonlinear crystals of pyridine-1-iumhydrogenbromide (PHBr) are grown by slow evaporation technique from aqueous solution. The picolinic and hydrobromide moieties are interlinked with each other through H-bonds.Figure optionsDownload full-size imageDownload as PowerPoint slide