Anzeige
Erschienen in:
11.02.2017
Growth, spectroscopic, mechanical, thermal, antimicrobial and DFT studies of piperidinium hydrogen oxalate
Erschienen in: Journal of Materials Science: Materials in Electronics | Ausgabe 11/2017
EinloggenAktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.
Wählen Sie Textabschnitte aus um mit Künstlicher Intelligenz passenden Patente zu finden. powered by
Markieren Sie Textabschnitte, um KI-gestützt weitere passende Inhalte zu finden. powered by
Abstract
An organic single crystal of piperidinium hydrogen oxalate was grown from aqueous solution by slow evaporation solution growth technique. Single crystal X-ray diffraction study revealed that the PHO crystal belongs to orthorhombic system with space group of P212121. The grown crystal was characterized by various analytical and spectroscopic techniques such as FT-IR, UV–Vis spectroscopy and Vicker’s microhardness test. UV–Vis–NIR study showed that the PHO crystal has a wide transmission window. The thermal stability of the crystal was studied using thermo-gravimetric and differential scanning calorimetric analyses. Further, the synthesized compound was screened for its in vitro antibacterial and antifungal activity. The theoretical analysis was done by density functional theory (DFT) using B3LYP/6-31G (d, p) level of method. Thermodynamic properties, HOMO–LUMO gap and first hyperpolarizability were determined theoretically.