Growth, characterisation and DFT investigations on 3-hydroxy-6-methyl-2-nitropyridine (3H6M2NP) – A novel third order nonlinear optical material was written by Justin, P.;Anitha, K.. And the article was included in Journal of Molecular Structure in 2021.Formula: C6H6N2O3 This article mentions the following:
Single crystals of nitropyridine derivative 3-hydroxy-6-Me-2-nitropyridine were grown by slow evaporation solution growth technique using EtOH. 3H6M2NP was crystallized in orthorhombic crystal system with centrosym. space group Pbca. The crystalline nature, presence of functional groups and its vibrational modes were assigned using FTIR and FT-Raman spectroscopic techniques. The UV-visible spectrum reveals 3H6M2NP crystal is transparent in the visible region with lower cut-off wavelength. The luminescence properties were confirmed by PL spectrum and 3H6M2NP crystal exhibited thermal stability up to 182°. The mol. structure of 3H6M2NP was optimized and all ab initio calculations were done theor. From Z-scan technique, the 3rd order nonlinear optical susceptibility of the grown crystal is χ3 = 2.616 × 10-8 esu. The hyperpolarizability value is 2.9 times larger than that of the urea which settles the NLO activity. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Formula: C6H6N2O3).
3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·molâ? in pyridine vs. 150 kJ·molâ? in benzene). Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Formula: C6H6N2O3