Growth, structural, thermal, mechanical, optical and third order nonlinear optical studies of 3-hydroxy 2-nitropyridine single crystal
- Author(s)
- P. Justin, Kandasamy Anitha, S. Stephen Rajkumar Inbanathan, Gerald Giester, Michel Fleck
- Abstract
A Novel pyridine derivative 3-hydroxy 2-nitropyridine (3H2NP) was crystallized using slow evaporation solution growth technique (SEST). The single crystal XRD analysis was carried out to elucidate the structure of this organic material. 3H2NP was crystallized in the monoclinic crystal system with centrosymmetric space group P2
1/c. The functional groups and its vibrational assignments were identified by FT-IR analysis. The UV spectrum specified that 3H2NP crystal had wide transparency in visible regions with lower cut off wavelength and optical band gap of 3.7 eV was obtained from Tauc's plot. The photoluminescence study confirmed the luminescence property and defect level present in the 3H2NP crystal. The mechanical hardness and the stability were evaluated by Vickers micro hardness test and the result showed 3H2NP was a hard material. The electronic properties, dielectric constant and dielectric loss of 3H2NP were recorded at room temperature for various frequencies. Thermogravimetric analysis confirmed the thermal stability of 3H2NP crystal and the melting point of the crystal was found to be 144 °C. The third order nonlinear optical properties of 3H2NP has been investigated by employing Z-scan technique. The title compound was computed using quantum mechanical calculations and the first order hyper polarizability value of 3H2NP was found to be 4.9 times that of the urea which settles NLO activity. The calculated HOMO and LUMO energies showed that the charge transfer occurred within the molecule.
- Organisation(s)
- Department of Mineralogy and Crystallography
- External organisation(s)
- Madurai Kamaraj University, American College
- Journal
- Optical Materials
- Volume
- 86
- Pages
- 562-570
- No. of pages
- 9
- ISSN
- 0925-3467
- DOI
- https://doi.org/10.1016/j.optmat.2018.10.047
- Publication date
- 12-2018
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104015 Organic chemistry, 103021 Optics, 105113 Crystallography
- Keywords
- ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials, Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Spectroscopy, Inorganic Chemistry, Physical and Theoretical Chemistry, Organic Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/fb90f25c-2b4e-461c-ae7b-65965572673c