Spectroscopic, quantum-chemical and X-ray diffraction studies of Piperidinium p-Hydroxybenzoate-combined experimental and theoretical studies on a novel NLO crystal

► Systematic studies have resulted in the growth of high quality PDPHB single crystals. ► PDPHB crystals exhibited good transparency in the useful UV-Vis region. ► Spectroscopic and quantum chemical studies were reported for the first time.