Synthesis, growth, crystal structure, vibrational, DFT and HOMO, LUMO analysis on protonated molecule-4-aminopyridinium nicotinate

• Main Authors: Vasanthakumari, R., Nirmala, W., Sagadevan, Suresh, Mugeshini, S., Rajeswari, N., Balu, Ranjith, Santhakumari, R.
• Format: Article
• Published: Elsevier 2021
• Subjects: QD Chemistry
• Online Access: http://eprints.um.edu.my/28788/
• Institution: Universiti Malaya

An organic crystal 4-aminopyridinium nicotinate (4APNA) single crystal has been grown by a slow evaporation method. The crystallinity and structural orientation of as-grown 4APNA compound was thoroughly studied using single-crystal X-ray diffraction and powder X-ray diffraction (XRD) and found to be...